 Entering Gaussian System, Link 0=g16
 Input=16_3carene_STD_B3LYPDBJ-def2TZVPDr.in
 Output=16_3carene_STD_B3LYPDBJ-def2TZVPDr.log
 AtFile(1): /user/pierpa/basis_sets/def2TZVPD.gbs
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               5253.2344745              0.95310527769D-02
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            S    8   1.00
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               5885.6618668              0.93943844255D-02
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                194.57803492             0.29004470954
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                 58.840299883           -0.11547027448
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            S    1   1.00
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                197.93040142             0.20076506686D-01
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            D    1   1.00
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            -Sc     0
            S    8   1.00
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              28723.8503630              0.17890329946D-02
               6537.0116490              0.92990401140D-02
               1850.3097171              0.37739438011D-01
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                216.17324766             0.28814821470
                 83.712517880            0.40517543099
                 32.908707189            0.20566019623
            S    4   1.00
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                 65.128920139           -0.11570158142
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                224.09699732             0.19742967060D-01
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            -Ti     0
            S    8   1.00
             211575.6902500              0.23318151011D-03
              31714.9450580              0.18079690851D-02
               7217.5476543              0.93984311352D-02
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            S    4   1.00
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            -V     0
            S    8   1.00
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              34828.8411700              0.17888178962D-02
               7926.5448691              0.92992490131D-02
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                262.32219631             0.28963508811
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                 40.064784617            0.21113610858
            S    4   1.00
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                280.23075192             0.19643454466D-01
                 89.643627137            0.90796949190D-01
                 33.242411253            0.25650768222
                 13.144514452            0.40815393750
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              38131.7970540              0.18142601800D-02
               8675.2930607              0.94363925721D-02
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                286.90021489             0.29489696029
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                309.25311441             0.19544041017D-01
                 98.996273963            0.90651794553D-01
                 36.756916451            0.25699279154
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            -Mn     0
            S    8   1.00
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              41550.7698900              0.17707650375D-02
               9455.9700152              0.92077209994D-02
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                312.98306420             0.28824392499
                121.44454051             0.41041600847
                 47.922598829            0.21372375145
            S    4   1.00
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                342.06551197             0.19369286864D-01
                109.58400891             0.90236108988D-01
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              10262.5163170              0.91927083490D-02
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                339.87832894             0.28818881468
                131.94425588             0.41126612677
                 52.111494077            0.21518583573
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                101.92332739            -0.11683089050
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                  6.8840675801           0.53601640182
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                375.38006499             0.19253154755D-01
                120.31816501             0.90021836536D-01
                 44.788749031            0.25798172356
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            S    8   1.00
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              48839.6364530              0.17499397533D-02
              11114.9373070              0.91003134097D-02
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                368.02508816             0.28598731649
                142.91229205             0.40908312004
                 56.482649209            0.21500145739
            S    4   1.00
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                409.91750438             0.19382999967D-01
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            ****
            -Ni     0
            S    8   1.00
             351535.7293500              0.22529386884D-03
              52695.8092830              0.17468616223D-02
              11992.4682930              0.90849992136D-02
               3394.5776689              0.36940748447D-01
               1105.3594585              0.12032819950
                397.14677769             0.28596715057
                154.27542974             0.40983020196
                 61.018723780            0.21620642851
            S    4   1.00
                384.45559739            -0.24651279268D-01
                119.04879199            -0.11658505277
                 19.137012223            0.54864126676
                  8.1526718562           0.52640051122
            S    2   1.00
                 12.579408642           -0.22797884293
                  2.0870866081           0.70703738215
            S    1   1.00
                  0.86432568555          1.0000000
            S    1   1.00
                  0.13283169217          1.0000000
            S    1   1.00
                  0.46845327726D-01      1.0000000
            P    6   1.00
               1883.0907486              0.23748258443D-02
                445.95155320             0.19289457172D-01
                143.08430815             0.90718211507D-01
                 53.372920722            0.26181414117
                 21.321919357            0.42309149832
                  8.6643561994           0.24641686015
            P    3   1.00
                 34.144255211           -0.29677129163D-01
                  4.7122455921           0.55616824096
                  1.8709231845           0.96357766460
            P    1   1.00
                  0.70370016267          1.0000000
            P    1   1.00
                  0.1465880              1.0000000
            P    1   1.00
                  0.36887339850D-01      1.0000000
            D    4   1.00
                 74.591603465            0.12077454672D-01
                 21.590632752            0.74637262154D-01
                  7.6246142580           0.23236775502
                  2.8632206762           0.39042651680
            D    1   1.00
                  1.0311063388            .39509498921
            D    1   1.00
                  0.33060760691           .21138769167
            D    1   1.00
                  0.1060000              1.0000000
            F    1   1.00
                  2.1740000              1.0000000
            ****
            -Cu     0
            S    8   1.00
             377518.7992300              0.22811766128D-03
              56589.9843110              0.17688035931D-02
              12878.7117060              0.91993460227D-02
               3645.3752143              0.37411016434D-01
               1187.0072945              0.12189873737
                426.46421902             0.28983900714
                165.70660164             0.41531872174
                 65.598942707            0.21905799287
            S    4   1.00
                414.41265811            -0.24682525053D-01
                128.32056039            -0.11716827406
                 20.622089750            0.55301315941
                  8.7821226045           0.52242718609
            S    2   1.00
                 13.741372006           -0.22736061821
                  2.2431246833           0.71761210873
            S    1   1.00
                  0.89370549079          1.0000000
            S    1   1.00
                  0.10836699534          1.0000000
            S    1   1.00
                  0.38806178058D-01      1.0000000
            P    6   1.00
               2034.7596692              0.23524822298D-02
                481.90468106             0.19134070751D-01
                154.67482963             0.90171105278D-01
                 57.740576969            0.26063284735
                 23.099052811            0.42093485770
                  9.3882478591           0.24344615121
            P    3   1.00
                 37.596171210           -0.28991094530D-01
                  5.1240690810           0.54919083831
                  2.0119996085           0.93793330488
            P    1   1.00
                  0.73860686002          1.0000000
            P    1   1.00
                  0.1550650              1.0000000
            P    1   1.00
                  0.34015997020D-01      1.0000000
            D    4   1.00
                 74.129460637            0.14363216676D-01
                 21.359842587            0.86628177096D-01
                  7.4995240537           0.25631430541
                  2.7601394169           0.40374062368
            D    1   1.00
                  0.95362061236           .39427042447
            D    1   1.00
                  0.28420862520           .23091146816
            D    1   1.00
                  0.0850000              1.0000000
            F    1   1.00
                  2.2330000              1.0000000
            ****
            -Zn     0
            S    8   1.00
             405924.3102800              0.22442017483D-03
              60846.9557350              0.17402086626D-02
              13847.3430920              0.90513339565D-02
               3919.6158551              0.36817341445D-01
               1276.3594167              0.12004850256
                458.67254435             0.28576057621
                178.28725246             0.41087462062
                 70.612192837            0.21816962456
            S    4   1.00
                443.88077950            -0.24934274984D-01
                137.55875267            -0.11817955766
                 22.268083479            0.55367318468
                  9.5217310606           0.52628934936
            S    2   1.00
                 14.874114065           -0.22929955254
                  2.4647517612           0.71135484742
            S    1   1.00
                  1.0113272238           1.0000000
            S    1   1.00
                  0.14919852089          1.0000000
            S    1   1.00
                  0.51441872981D-01      1.0000000
            P    6   1.00
               2205.3508534              0.23356240448D-02
                522.35300699             0.19031022634D-01
                167.73055542             0.89955758675D-01
                 62.670045373            0.26113248631
                 25.109749456            0.42348448173
                 10.225142681            0.24618926885
            P    3   1.00
                 40.713442521           -0.30029667592D-01
                  5.6247090696           0.55575254864
                  2.2279949116           0.95581013442
            P    1   1.00
                  0.83354741691          1.0000000
            P    1   1.00
                  0.1624550              1.0000000
            P    1   1.00
                  0.0477690              1.0000000
            P    1   1.00
                  0.21234841485D-01      1.0000000
            D    4   1.00
                 88.554315311            0.12728170015D-01
                 25.721525557            0.79394499843D-01
                  9.1278367624           0.24491506805
                  3.4312364064           0.40390526479
            D    1   1.00
                  1.2308920645            .40158491145
            D    1   1.00
                  0.39031845112           .21579805034
            D    1   1.00
                  0.1240000              1.0000000
            F    1   1.00
                  2.6140000              1.0000000
            ****
            -Ga     0
            S    8   1.00
             435548.6625400              0.23646329650D-03
              65289.5890310              0.18335271776D-02
              14858.7842560              0.95371863081D-02
               4205.9734729              0.38803412468D-01
               1369.6416431              0.12661604848
                492.30348905             0.30175310292
                191.41923233             0.43543934218
                 75.840558665            0.23282363780
            S    4   1.00
                474.30810613            -0.26743707958D-01
                147.10297560            -0.12654657542
                 23.982599435            0.58840346839
                 10.298230094            0.56324271589
            S    2   1.00
                 16.050381430           -0.24516439508
                  2.6988468784           0.74578049593
            S    1   1.00
                  1.1428588736           1.0000000
            S    1   1.00
                  0.20217652251          1.0000000
            S    1   1.00
                  0.71980152032D-01      1.0000000
            S    1   1.00
                  0.30102057284D-01      1.0000000
            P    6   1.00
               2432.0171070              0.22434065928D-02
                576.12049582             0.18342265336D-01
                185.11584354             0.87279697167D-01
                 69.246572556            0.25684868351
                 27.818107777            0.42398378107
                 11.420229938            0.25701340043
            P    3   1.00
                 42.819661530           -0.19326519119D-01
                  6.3885901000           0.31571386917
                  2.6698993326           0.57617792822
            P    1   1.00
                  1.0781783834           1.0000000
            P    1   1.00
                  0.22796559371          1.0000000
            P    1   1.00
                  0.62836234833D-01      1.0000000
            D    5   1.00
                103.92331829             0.11464613652D-01
                 30.371094389            0.73625747383D-01
                 10.872078097            0.23505107382
                  4.1549137954           0.40318563513
                  1.5345659145           0.40824748152
            D    1   1.00
                  0.51114263830           .20502439263
            D    1   1.00
                  0.30622000             1.0000000
            D    1   1.00
                  0.11391309             1.0000000
            D    1   1.00
                  0.42871691594D-01      1.0000000
            F    1   1.00
                  0.30996095             1.0000000
            ****
            -Ge     0
            S    8   1.00
             466115.0059200              0.22487264660D-03
              69875.4207620              0.17435426729D-02
              15903.2767160              0.90691482206D-02
               4501.8233453              0.36906174685D-01
               1466.0570924              0.12050167907
                527.07841728             0.28748641703
                205.00395074             0.41622321885
                 81.251596065            0.22397845695
            S    4   1.00
                505.74661282            -0.25184609291D-01
                156.96593744            -0.11898929721
                 25.761448176            0.54930135870
                 11.106654687            0.52939309129
            S    2   1.00
                 17.272059104           -0.22854595728
                  2.9438289048           0.68377930317
            S    1   1.00
                  1.2839164916           1.0000000
            S    1   1.00
                  0.25873337445          1.0000000
            S    1   1.00
                  0.93524913177D-01      1.0000000
            S    1   1.00
                  0.41984351140D-01      1.0000000
            P    6   1.00
               2633.9346241              0.22143925310D-02
                624.00161628             0.18140899141D-01
                200.58528404             0.86632184922D-01
                 75.097081525            0.25649020592
                 30.214388474            0.42658611262
                 12.440087567            0.26200527313
            P    3   1.00
                 45.981316002           -0.20321767678D-01
                  6.9945654416           0.32013744527
                  2.9686001327           0.59051014555
            P    1   1.00
                  1.2320988495           1.0000000
            P    1   1.00
                  0.28981614974          1.0000000
            P    1   1.00
                  0.85564606447D-01      1.0000000
            D    5   1.00
                119.44887581             0.10586544521D-01
                 35.062915293            0.69601280945D-01
                 12.636924529            0.22807035287
                  4.8888672922           0.40301067220
                  1.8453195392           0.41304847015
            D    1   1.00
                  0.63571158892           .19639209740
            D    1   1.00
                  0.35492132             1.0000000
            D    1   1.00
                  0.13155709             1.0000000
            D    1   1.00
                  0.56134940012D-01      1.0000000
            F    1   1.00
                  0.36210645             1.0000000
            ****
            -As     0
            S    8   1.00
             498032.4215800              0.22740196900D-03
              74656.8687430              0.17632816413D-02
              16990.9600040              0.91728040381D-02
               4809.6200321              0.37337829344D-01
               1566.2887055              0.12199536117
                563.21360499             0.29137475324
                219.11179978             0.42326351479
                 86.866061030            0.22921464278
            S    4   1.00
                538.19512479            -0.25254197297D-01
                167.14850224            -0.11915461115
                 27.605517159            0.54628495980
                 11.947858521            0.53001520976
            S    2   1.00
                 18.538023133           -0.23479188136
                  3.2018985739           0.69167053428
            S    1   1.00
                  1.4356522077           1.0000000
            S    1   1.00
                  0.31837805200          1.0000000
            S    1   1.00
                  0.11622632186          1.0000000
            S    1   1.00
                  0.50450200093D-01      1.0000000
            P    6   1.00
               2678.9421546              0.23318955287D-02
                634.61765840             0.19042149977D-01
                203.93967606             0.90229744913D-01
                 76.323890369            0.26169037693
                 30.664124943            0.41857168155
                 12.505056732            0.23447830190
            P    4   1.00
                 49.256229549           -0.21235539870D-01
                  7.7274891466           0.30470206668
                  3.5410493476           0.52888373107
                  1.6985585501           0.37272250955
            P    1   1.00
                  0.76848071044          1.0000000
            P    1   1.00
                  0.30050823260          1.0000000
            P    1   1.00
                  0.98190639437D-01      1.0000000
            D    5   1.00
                135.33289305             0.99291144106D-02
                 39.860212744            0.66568843496D-01
                 14.446428359            0.22275768307
                  5.6432900356           0.40309224382
                  2.1668188623           0.41671667946
            D    1   1.00
                  0.76514970569           .18935502288
            D    1   1.00
                  0.42434653             1.0000000
            D    1   1.00
                  0.16331527             1.0000000
            D    1   1.00
                  0.67575334568D-01      1.0000000
            F    1   1.00
                  0.43271941             1.0000000
            ****
            -Se     0
            S    8   1.00
             531071.6669600              0.24108973168D-03
              79603.0441170              0.18696431441D-02
              18115.8442400              0.97271616536D-02
               5127.8923194              0.39604793031D-01
               1669.9130839              0.12948855136
                600.57534527             0.30959437289
                233.70021247             0.45115769216
                 92.672443932            0.24579189033
            S    4   1.00
                571.57513675            -0.26895707881D-01
                177.63686375            -0.12670989353
                 29.517767052            0.57699001719
                 12.824399795            0.56369075408
            S    2   1.00
                 19.848235841           -0.25132415534
                  3.4744018486           0.72905416980
            S    1   1.00
                  1.5988910849           1.0000000
            S    1   1.00
                  0.38333469387          1.0000000
            S    1   1.00
                  0.14049742459          1.0000000
            S    1   1.00
                  0.45053485505D-01      1.0000000
            P    6   1.00
               2815.3500566              0.25569026854D-02
                666.92558298             0.20874026901D-01
                214.34213188             0.98772096250D-01
                 80.246687942            0.28471821221
                 32.251081288            0.45003584934
                 13.106432562            0.24416091055
            P    4   1.00
                 53.366108516           -0.21558456273D-01
                  8.1827777195           0.32662310638
                  3.6239945672           0.57740499319
                  1.6341591401           0.34301320826
            P    1   1.00
                  0.58418320228          1.0000000
            P    1   1.00
                  0.23966269279          1.0000000
            P    1   1.00
                  0.88785134803D-01      1.0000000
            P    1   1.00
                  0.26632920997D-01      1.0000000
            D    5   1.00
                151.82910279             0.93970276988D-02
                 44.839992523            0.64086503991D-01
                 16.328999510            0.21834238004
                  6.4305057612           0.40314789649
                  2.5048025169           0.41966491490
            D    1   1.00
                  0.90271148434           .18366663432
            D    1   1.00
                  0.47683613             1.0000000
            D    1   1.00
                  0.18535160             1.0000000
            D    1   1.00
                  0.64254758023D-01      1.0000000
            F    1   1.00
                  0.48866905             1.0000000
            ****
            -Br     0
            S    8   1.00
             565073.2525600              0.23660314690D-03
              84701.7231790              0.18348332508D-02
              19276.2719000              0.95465849860D-02
               5456.4284576              0.38877142153D-01
               1776.9503500              0.12718314231
                639.19398276             0.30437662191
                248.78823961             0.44490940497
                 98.678305494            0.24381643058
            S    4   1.00
                606.07824568            -0.26527158709D-01
                188.45598484            -0.12484584809
                 31.497144506            0.56468683559
                 13.736008320            0.55555268564
            S    2   1.00
                 21.203212766           -0.24940920493
                  3.7616420178           0.71213119743
            S    1   1.00
                  1.7735933962           1.0000000
            S    1   1.00
                  0.45197413664          1.0000000
            S    1   1.00
                  0.16613377099          1.0000000
            S    1   1.00
                  0.52769579657D-01      1.0000000
            P    6   1.00
               3019.6955723              0.24971049798D-02
                715.35481126             0.20419267596D-01
                229.98328751             0.96897148309D-01
                 86.167844615            0.28053901252
                 34.667870802            0.44606390473
                 14.113870307            0.24410073923
            P    4   1.00
                 57.085653082           -0.21855950710D-01
                  8.8193845840           0.32707075320
                  3.9340302872           0.57855229520
                  1.7998830384           0.33570987698
            P    1   1.00
                  0.66899410512          1.0000000
            P    1   1.00
                  0.27136238231          1.0000000
            P    1   1.00
                  0.10083790243          1.0000000
            P    1   1.00
                  0.29005224647D-01      1.0000000
            D    5   1.00
                168.85370257             0.89663981988D-02
                 49.977949919            0.62062059316D-01
                 18.274913338            0.21474732384
                  7.2455694631           0.40335336746
                  2.8562315025           0.42208813080
            D    1   1.00
                  1.0459621144            .17874813267
            D    1   1.00
                  0.56865655             1.0000000
            D    1   1.00
                  0.22031490             1.0000000
            D    1   1.00
                  0.75865567476D-01      1.0000000
            F    1   1.00
                  0.57083312             1.0000000
            ****
            -Kr     0
            S    8   1.00
             600250.9757500              0.23740610399D-03
              89976.6507810              0.18410240539D-02
              20476.8142250              0.95795580699D-02
               5796.1554078              0.39020650488D-01
               1887.5913196              0.12772645628
                679.11458519             0.30596521300
                264.38244511             0.44857474437
                104.88368574             0.24722957327
            S    4   1.00
                641.47370764            -0.26745279805D-01
                199.57524820            -0.12571122567
                 33.545462954            0.56483736390
                 14.683955144            0.55972765539
            S    2   1.00
                 22.603101860           -0.25298771800
                  4.0650682991           0.70992159965
            S    1   1.00
                  1.9611027060           1.0000000
            S    1   1.00
                  0.52465147979          1.0000000
            S    1   1.00
                  0.19332399511          1.0000000
            S    1   1.00
                  0.61730246979D-01      1.0000000
            P    6   1.00
               3232.9589614              0.24885607974D-02
                765.96442694             0.20379007428D-01
                246.33940810             0.96977188584D-01
                 92.365283041            0.28199960954
                 37.199509551            0.45116254358
                 15.172166534            0.24917131496
            P    4   1.00
                 60.931321698           -0.22173603519D-01
                  9.4792600646           0.32838462778
                  4.2564686326           0.58124997120
                  1.9729313762           0.32863541783
            P    1   1.00
                  0.76337108716          1.0000000
            P    1   1.00
                  0.30943625526          1.0000000
            P    1   1.00
                  0.11569704458          1.0000000
            P    1   1.00
                  0.32364688085D-01      1.0000000
            D    5   1.00
                186.41760904             0.86120284601D-02
                 55.274124345            0.60394406304D-01
                 20.283219120            0.21181331869
                  8.0884536976           0.40366293413
                  3.2214033853           0.42402860686
            D    1   1.00
                  1.1952170102            .17441742274
            D    1   1.00
                  0.6480000              1.0000000
            D    1   1.00
                  0.2510000              1.0000000
            D    1   1.00
                  0.87900125404D-01      1.0000000
            F    1   1.00
                  0.6280000              1.0000000
            ****
            -Rb     0
            S    2   1.00
                  7.4744618040           0.26997866363
                  6.7296180594          -0.42629251814
            S    1   1.00
                  2.7816640004           1.0000000
            S    1   1.00
                  0.53452175148          1.0000000
            S    1   1.00
                  0.22368793034          1.0000000
            S    1   1.00
                  0.32410407052D-01      1.0000000
            S    1   1.00
                  0.14171047424D-01      1.0000000
            P    4   1.00
                  5.6720643194           0.48114224135D-01
                  3.3320183956          -0.18485131426
                  0.80150054910          0.42811864954
                  0.36302220227          0.58673165411
            P    1   1.00
                  0.15733924392          1.0000000
            P    1   1.00
                  0.40000000000D-01      1.0000000
            P    1   1.00
                  0.16000000000D-01      1.0000000
            D    1   1.00
                  0.25907866956          0.76806746340D-01
            D    1   1.00
                  0.42507438045D-01      0.37846160487
            D    1   1.00
                  0.11909276840D-01      1.0000000
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                 33.404240134            0.68377675770D-02
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            ****
            -Xe     0
            S    5   1.00
               6420.2481656              0.25092173886D-03
                983.54530664             0.16251948178D-02
                219.43881364             0.46037106451D-02
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                  6.2390917199           0.38470524721
            S    1   1.00
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            P    1   1.00
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            P    1   1.00
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                 38.727062692            0.60897654151D-02
                 15.377328089           -0.92782985596D-02
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            D    1   1.00
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            ****
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            S    3   1.00
                  5.8778113443           0.12859994983
                  4.3631538286          -0.34632569725
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            S    1   1.00
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            P    1   1.00
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            D    1   1.00
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            D    1   1.00
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            ****
            -Ba     0
            S    2   1.00
                  6.0000000000          -0.56587174838
                  4.9822082226           0.97514768535
            S    1   1.00
                  2.1451943914           1.0000000
            S    1   1.00
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            S    1   1.00
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            S    1   1.00
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                  4.9017938336           0.67755479813
                  2.6142685062          -0.46010554954
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            P    1   1.00
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            D    1   1.00
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                 10.00                   0.073
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            ****
            -La     0
            S    2   1.00
                  5.0873990000          -0.44174952534
                  4.2709780000           0.85812466843
            S    1   1.00
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            S    1   1.00
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                  3.6808191615           0.14675038550
                  2.3265462081          -0.35581819167
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            P    1   1.00
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            P    1   1.00
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            D    1   1.00
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            -Hf     0
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                 16.000000000           -3.5064630782
                 14.400000000            4.3082581000
                 10.304504667           -0.91045809742
            S    1   1.00
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                  4.9203967161          -0.28227924657
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            P    1   1.00
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            D    1   1.00
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            ****
            -Ta     0
            S    4   1.00
                 24.473650944            0.20590322488
                 18.721372549           -0.74670795514
                 11.500000000            3.4071363897
                 10.350000000           -2.8175487609
            S    1   1.00
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            S    1   1.00
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            S    1   1.00
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                 12.008186536            0.10336287365
                  5.0278760583          -0.28526521696
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            P    1   1.00
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            P    1   1.00
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            P    1   1.00
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            D    3   1.00
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            D    1   1.00
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            -W     0
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                 30.000000000            0.32246483410
                 27.000000000           -0.46692257214
                 13.078045684            0.42699563776
            S    1   1.00
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            S    1   1.00
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            S    1   1.00
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            P    4   1.00
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                 12.431973432            0.10905673845
                  5.1586217658          -0.29399955020
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            P    1   1.00
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            P    1   1.00
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            P    1   1.00
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                  5.9026268603          -0.17667540011
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            D    1   1.00
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            D    1   1.00
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            ****
            -Re     0
            S    3   1.00
                 30.000000000            0.31780717811
                 27.000000000           -0.46492321332
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            S    1   1.00
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            S    1   1.00
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            S    1   1.00
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                 12.318606250            0.99711498502D-01
                  5.3719234505          -0.29289398145
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            P    1   1.00
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            P    1   1.00
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            P    1   1.00
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                  6.0949443610          -0.17722258734
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            D    1   1.00
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            D    1   1.00
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            ****
            -Os     0
            S    3   1.00
                 30.000000000            0.32213004804
                 27.000000000           -0.47922918137
                 13.524730005            0.47465946837
            S    1   1.00
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            S    1   1.00
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            S    1   1.00
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                 14.000000000           -0.23201520402
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                  1.4139502215          -0.54253238176
            P    1   1.00
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            P    1   1.00
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            P    1   1.00
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                  6.3060397430          -0.16444229630
                  1.4890109110           0.55154541033
                  0.67315390607          0.88461370291
            D    1   1.00
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            D    1   1.00
                  0.11058012051          1.0000000
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                  0.5506500              1.0000000
            ****
            -Ir     0
            S    3   1.00
                 30.000000000            0.30797903228
                 27.000000000           -0.46726361781
                 13.961973911            0.47161003146
            S    1   1.00
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            P    4   1.00
                 15.902664143           -0.16290720099
                 14.415830698            0.23483212987
                  5.7597608991          -0.30305337176
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            P    1   1.00
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            P    1   1.00
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            P    1   1.00
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            P    1   1.00
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            D    4   1.00
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                  6.5898192302          -0.17326965173
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                  0.71827834905          0.85273641436
            D    1   1.00
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            D    1   1.00
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            ****
            -Pt     0
            S    3   1.00
                 30.000000000            0.27148263900
                 27.000000000           -0.42226758774
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            S    1   1.00
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            S    1   1.00
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            S    1   1.00
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                 14.000000000            0.23853412989
                  6.1161212339          -0.31041379733
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            P    1   1.00
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            P    1   1.00
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            P    1   1.00
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                  7.4207226520          -0.90271847072D-01
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            D    1   1.00
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            D    1   1.00
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            ****
            -Au     0
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                 27.000000000           -0.33267893394
                 14.746824331            0.38302817958
            S    1   1.00
                  5.6017248938           1.0000000
            S    1   1.00
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            S    1   1.00
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            S    1   1.00
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                  1.6595601681          -0.57279670446
            P    1   1.00
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            P    1   1.00
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            P    1   1.00
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                  7.2698886937          -0.93690906606D-01
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                  0.79960541055          0.46795192483
            D    1   1.00
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            D    1   1.00
                  0.12445133105          1.0000000
            F    1   1.00
                  0.7248200              1.0000000
            ****
            -Hg     0
            S    3   1.00
                 48.013786990            0.58008164912D-02
                 21.239875095           -0.17328165235
                 15.876100879            0.36416685034
            S    1   1.00
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            S    1   1.00
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            S    1   1.00
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            S    1   1.00
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            P    4   1.00
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                 15.252594855            0.15327318234
                  6.4404715169          -0.30274955249
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            P    1   1.00
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            P    1   1.00
                  0.41304540122          1.0000000
            P    1   1.00
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            P    1   1.00
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            P    1   1.00
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            D    4   1.00
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                  7.5920661493          -0.94774230522D-01
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                  0.88641552102          0.45567078406
            D    1   1.00
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            D    1   1.00
                  0.14880740086          1.0000000
            F    1   1.00
                  0.7956900              1.0000000
            ****
            -Tl     0
            S    4   1.00
                729.65038145             0.13672829828D-03
                 46.665548707            0.60443439951D-02
                 20.970448726           -0.20022066697
                 14.149588677            0.40801678488
            S    2   1.00
                 20.730134285           -0.71861135918D-01
                  6.1527631309           0.98057508445
            S    1   1.00
                  1.5757324480           1.0000000
            S    1   1.00
                  0.74980169458          1.0000000
            S    1   1.00
                  0.19536816194          1.0000000
            S    1   1.00
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            S    1   1.00
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            P    3   1.00
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                 14.814929544           -0.72859235151
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            P    3   1.00
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            P    1   1.00
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            P    1   1.00
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            P    1   1.00
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                  9.7368866667           0.24456562496D-01
                  6.9256201679          -0.69914775031D-01
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                  1.0836187110           0.29731629705
                  0.52356298209          0.23728708102
            D    1   1.00
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            D    1   1.00
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            D    1   1.00
                  0.30807799761D-01      1.0000000
            F    1   1.00
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            F    1   1.00
                  0.2843500              1.0000000
            ****
            -Pb     0
            S    4   1.00
                591.61124370             0.22126521076D-03
                 46.757232559            0.56961959130D-02
                 20.746462696           -0.21374063831
                 14.610796419            0.40502620616
            S    2   1.00
                 20.222637612           -0.83541883299D-01
                  6.4767324865           0.97910892388
            S    1   1.00
                  1.6600600927           1.0000000
            S    1   1.00
                  0.80431655001          1.0000000
            S    1   1.00
                  0.22627039020          1.0000000
            S    1   1.00
                  0.84014530665D-01      1.0000000
            S    1   1.00
                  0.28533321717D-01      1.0000000
            P    3   1.00
                 15.189102118            0.61952303583
                 14.693144415           -0.72498497086
                  6.8705890048           0.37680007984
            P    3   1.00
                  2.2021426123           0.40196284806
                  1.2209125119           0.46058131862
                  0.63367559815          0.19367655397
            P    1   1.00
                  0.28202837058          1.0000000
            P    1   1.00
                  0.11333375666          1.0000000
            P    1   1.00
                  0.43948707430D-01      1.0000000
            D    6   1.00
                 61.315369628            0.33870800787D-03
                 12.372195840            0.13788683942D-01
                  6.9254944983          -0.75979608103D-01
                  2.3319539939           0.28113784298
                  1.2108730003           0.44474512269
                  0.60090478506          0.35326874351
            D    1   1.00
                  0.28135869813          1.0000000
            D    1   1.00
                  0.11500000000          1.0000000
            D    1   1.00
                  0.40071342706D-01      1.0000000
            F    1   1.00
                  1.0000000              1.0000000
            F    1   1.00
                  0.2896200              1.0000000
            ****
            -Bi     0
            S    4   1.00
                716.41435310             0.31254307133D-03
                 83.806059047            0.17624768946D-02
                 21.116962853           -0.21910983437
                 15.491448187            0.40411224931
            S    2   1.00
                 23.239855029           -0.68255758685D-01
                  6.6474255000           0.97888046471
            S    1   1.00
                  1.7617744005           1.0000000
            S    1   1.00
                  0.87252866000          1.0000000
            S    1   1.00
                  0.25618895997          1.0000000
            S    1   1.00
                  0.97073913006D-01      1.0000000
            S    1   1.00
                  0.35808906242D-01      1.0000000
            P    3   1.00
                 15.249644669            0.74560356000
                 14.846176053           -0.85578637338
                  7.0636826784           0.40149159592
            P    3   1.00
                  2.5881255616           0.35542729633
                  1.5020208499           0.63976991890
                  0.76732724388          0.32332773839
            P    1   1.00
                  0.32797648982          1.0000000
            P    1   1.00
                  0.13820335991          1.0000000
            P    1   1.00
                  0.55137330969D-01      1.0000000
            D    6   1.00
                 66.404481948            0.38102878348D-03
                 13.858426961            0.10746152442D-01
                  7.0654519000          -0.71947646845D-01
                  2.5252144035           0.26195974989
                  1.3419585000           0.42594750000
                  0.68340941000          0.33680325627
            D    1   1.00
                  0.32934755420          1.0000000
            D    1   1.00
                  0.14000000000          1.0000000
            D    1   1.00
                  0.50194378647D-01      1.0000000
            F    1   1.00
                  1.0500000              1.0000000
            F    1   1.00
                  0.3127100              1.0000000
            ****
            -Po     0
            S    5   1.00
               6744.8211765              0.76891556363D-04
                744.41892532             0.71284827354D-03
                131.04029309             0.22057583958D-02
                 19.662021030           -0.64364713744
                 16.623025609            0.91997150546
            S    2   1.00
                 23.094002965           -0.70404410177D-01
                  6.9707398381           0.97886540086
            S    1   1.00
                  1.8497377593           1.0000000
            S    1   1.00
                  0.93082999263          1.0000000
            S    1   1.00
                  0.28673026462          1.0000000
            S    1   1.00
                  0.10979212169          1.0000000
            S    1   1.00
                  0.35812540416D-01      1.0000000
            P    4   1.00
                  8.9027395407          -0.13798250445
                  5.7414667465           0.26304005326
                  1.9896329823           0.66225846161
                  0.94703210822          0.39547051892
            P    3   1.00
                253.99024497             0.83876362116D-04
                  9.8712718748           0.24572710458
                  7.4489893496          -0.44297763661
            P    1   1.00
                  0.37071136280          1.0000000
            P    1   1.00
                  0.15554706086          1.0000000
            P    1   1.00
                  0.61173720818D-01      1.0000000
            P    1   1.00
                  0.19437729576D-01      1.0000000
            D    6   1.00
                 67.943077046            0.48919125336D-03
                 14.914219894            0.10157120776D-01
                  7.2973948305          -0.69943263066D-01
                  2.6826784400           0.26244730680
                  1.4374143009           0.42702361494
                  0.73903797417          0.32502435477
            D    1   1.00
                  0.35838153281          1.0000000
            D    1   1.00
                  0.15000000000          1.0000000
            D    1   1.00
                  0.51710661379D-01      1.0000000
            F    1   1.00
                  1.4000000              1.0000000
            F    1   1.00
                  0.3327500              1.0000000
            ****
            -At     0
            S    5   1.00
               3635.9809356              0.12571463494D-03
                537.64129823             0.75950883820D-03
                 91.600030756            0.25790982348D-02
                 20.200005804           -0.54772187699
                 16.893873824            0.78417507786
            S    2   1.00
                 18.177216938           -0.13023627002
                  7.2317852082           0.96473566747
            S    1   1.00
                  1.9496199739           1.0000000
            S    1   1.00
                  0.99226695236          1.0000000
            S    1   1.00
                  0.31957178881          1.0000000
            S    1   1.00
                  0.12342539809          1.0000000
            S    1   1.00
                  0.40936378211D-01      1.0000000
            P    4   1.00
                  8.9484156471          -0.15012953475
                  5.9694592464           0.27048141788
                  2.1099088209           0.63671217722
                  1.0236370373           0.38057472615
            P    3   1.00
                216.81518928             0.16975297090D-03
                 10.592298115            0.22683755793
                  7.4596585430          -0.47336848377
            P    1   1.00
                  0.42186356565          1.0000000
            P    1   1.00
                  0.17757132268          1.0000000
            P    1   1.00
                  0.69670886939D-01      1.0000000
            P    1   1.00
                  0.20397906578D-01      1.0000000
            D    6   1.00
                 70.619633393            0.59974022914D-03
                 16.212096478            0.93445952839D-02
                  7.3607401479          -0.70748413897D-01
                  2.9309052592           0.24037366077
                  1.6085414823           0.41841372624
                  0.84194162715          0.32832651044
            D    1   1.00
                  0.41335677957          1.0000000
            D    1   1.00
                  0.17400000000          1.0000000
            D    1   1.00
                  0.59789898654D-01      1.0000000
            F    1   1.00
                  1.8000000              1.0000000
            F    1   1.00
                  0.3740800              1.0000000
            ****
            -Rn     0
            S    5   1.00
               5187.7442468              0.16097034848D-03
                768.14491207             0.10508214789D-02
                159.35182065             0.27375438093D-02
                 21.863432724           -0.55045904905
                 18.388689978            0.78321373922
            S    2   1.00
                 24.816226448           -0.82636797204D-01
                  7.2923301677           1.0926256000
            S    1   1.00
                  2.0850437166           1.0000000
            S    1   1.00
                  1.0915245945           1.0000000
            S    1   1.00
                  0.34915708428          1.0000000
            S    1   1.00
                  0.13648422952          1.0000000
            S    1   1.00
                  0.46837581728D-01      1.0000000
            P    4   1.00
                  9.0845000304          -0.23093917426
                  6.2631489717           0.39747614192
                  2.2545193734           0.83026693838
                  1.1180666918           0.51467013112
            P    3   1.00
                194.68918723             0.26265814046D-03
                 11.210013525            0.19952302621
                  7.5298316489          -0.45994479561
            P    1   1.00
                  0.47444492594          1.0000000
            P    1   1.00
                  0.20172354616          1.0000000
            P    1   1.00
                  0.79503144392D-01      1.0000000
            P    1   1.00
                  0.22264519316D-01      1.0000000
            D    6   1.00
                 75.302723665            0.73590238429D-03
                 17.965913830            0.89490827389D-02
                  7.3741298033          -0.76641663693D-01
                  3.2296258578           0.22975404602
                  1.7937840508           0.43991495311
                  0.94633319732          0.35259395198
            D    1   1.00
                  0.46860482223          1.0000000
            D    1   1.00
                  0.20000000000          1.0000000
            D    1   1.00
                  0.68815941916D-01      1.0000000
            F    1   1.00
                  2.1000000              1.0000000
            F    1   1.00
                  0.4180600              1.0000000
            ****
            
            -RB     0
            RB-ECP     3     28
            f potential
              1
            2      3.8431140            -12.3169000
            s-f potential
              3
            2      5.0365510             89.5001980
            2      1.9708490              0.4937610
            2      3.8431140             12.3169000
            p-f potential
              3
            2      4.2583410             58.5689740
            2      1.4707090              0.4317910
            2      3.8431140             12.3169000
            d-f potential
              3
            2      3.0231270             26.2248980
            2      0.6503830              0.9628390
            2      3.8431140             12.3169000
            -SR     0
            SR-ECP     3     28
            f potential
              1
            2      4.6339750            -15.8059920
            s-f potential
              3
            2      7.4000740            135.4794300
            2      3.6063790             17.5344630
            2      4.6339750             15.8059920
            p-f potential
              3
            2      6.4848680             88.3597090
            2      3.2880530             15.3943720
            2      4.6339750             15.8059920
            d-f potential
              3
            2      4.6228410             29.8889870
            2      2.2469040              6.6594140
            2      4.6339750             15.8059920
            -Y     0
            Y-ECP     3     28
            f potential
              2
            2      6.5842120            -19.12219811
            2      3.2921060             -2.43637543
            s-f potential
              4
            2      7.4880494            135.15384412
            2      3.7440247             15.55244130
            2      6.5842120             19.12219811
            2      3.2921060              2.43637543
            p-f potential
              4
            2      6.4453772             87.78499167
            2      3.2226886             11.56406599
            2      6.5842120             19.12219811
            2      3.2921060              2.43637543
            d-f potential
              4
            2      4.6584472             29.70100072
            2      2.3292236              5.53996847
            2      6.5842120             19.12219811
            2      3.2921060              2.43637543
            -ZR     0
            ZR-ECP     3     28
            f potential
              2
            2      7.5400000            -21.09377605
            2      3.7700000             -3.08069427
            s-f potential
              4
            2      8.2000000            150.26759106
            2      4.0897278             18.97621650
            2      7.5400000             21.09377605
            2      3.7700000              3.08069427
            p-f potential
              4
            2      7.1100000             99.62212372
            2      3.5967980             14.16873329
            2      7.5400000             21.09377605
            2      3.7700000              3.08069427
            d-f potential
              4
            2      5.3500000             35.04512355
            2      2.4918215              6.11125948
            2      7.5400000             21.09377605
            2      3.7700000              3.08069427
            -NB     0
            NB-ECP     3     28
            f potential
              2
            2      8.4900000            -22.92954996
            2      4.2500000             -3.66630986
            s-f potential
              4
            2      8.9000000            165.17914349
            2      4.4300000             21.99297437
            2      8.4900000             22.92954996
            2      4.2500000              3.66630986
            p-f potential
              4
            2      7.7700000            111.79441445
            2      3.9600000             16.63348326
            2      8.4900000             22.92954996
            2      4.2500000              3.66630986
            d-f potential
              4
            2      6.0500000             38.11224880
            2      2.8400000              8.03916727
            2      8.4900000             22.92954996
            2      4.2500000              3.66630986
            -MO     0
            MO-ECP     3     28
            f potential
              2
            2      9.4500000            -24.80517707
            2      4.7200000             -4.15378155
            s-f potential
              4
            2      9.7145938            180.10310850
            2      4.6805004             24.99722791
            2      9.4500000             24.80517707
            2      4.7200000              4.15378155
            p-f potential
              4
            2      8.1421366            123.77275231
            2      4.6259863             19.53022800
            2      9.4500000             24.80517707
            2      4.7200000              4.15378155
            d-f potential
              4
            2      6.6184148             48.37502229
            2      3.2487516              8.89205274
            2      9.4500000             24.80517707
            2      4.7200000              4.15378155
            -TC     0
            TC-ECP     3     28
            f potential
              2
            2     10.4000000            -26.56244747
            2      5.2000000             -4.58568054
            s-f potential
              4
            2     10.4223462            195.15916591
            2      5.0365160             28.09260333
            2     10.4000000             26.56244747
            2      5.2000000              4.58568054
            p-f potential
              4
            2      8.9504494            135.28456622
            2      4.8544394             21.80650430
            2     10.4000000             26.56244747
            2      5.2000000              4.58568054
            d-f potential
              4
            2      6.9456968             54.32972942
            2      3.9705849             11.15506795
            2     10.4000000             26.56244747
            2      5.2000000              4.58568054
            -RU     0
            RU-ECP     3     28
            f potential
              2
            2     11.3600000            -28.34061627
            2      5.6800000             -4.94462923
            s-f potential
              4
            2     11.1052693            209.82297122
            2      5.4147454             30.65472642
            2     11.3600000             28.34061627
            2      5.6800000              4.94462923
            p-f potential
              4
            2      9.7712707            146.33618228
            2      5.0739908             24.12787723
            2     11.3600000             28.34061627
            2      5.6800000              4.94462923
            d-f potential
              4
            2      7.6714231             67.51589667
            2      4.1365647              9.87010415
            2     11.3600000             28.34061627
            2      5.6800000              4.94462923
            -RH     0
            RH-ECP     3     28
            f potential
              2
            2     12.3100000            -30.09345572
            2      6.1600000             -5.21848192
            s-f potential
              4
            2     11.7200000            225.34775353
            2      5.8200000             32.82318898
            2     12.3100000             30.09345572
            2      6.1600000              5.21848192
            p-f potential
              4
            2     10.4200000            158.70941159
            2      5.4500000             26.44410049
            2     12.3100000             30.09345572
            2      6.1600000              5.21848192
            d-f potential
              4
            2      8.8200000             62.75862572
            2      3.8700000             10.97871947
            2     12.3100000             30.09345572
            2      6.1600000              5.21848192
            -PD     0
            PD-ECP     3     28
            f potential
              2
            2     13.2700000            -31.92955431
            2      6.6300000             -5.39821694
            s-f potential
              4
            2     12.4300000            240.22904033
            2      6.1707594             35.17194347
            2     13.2700000             31.92955431
            2      6.6300000              5.39821694
            p-f potential
              4
            2     11.0800000            170.41727605
            2      5.8295541             28.47213287
            2     13.2700000             31.92955431
            2      6.6300000              5.39821694
            d-f potential
              4
            2      9.5100000             69.01384488
            2      4.1397811             11.75086158
            2     13.2700000             31.92955431
            2      6.6300000              5.39821694
            -AG     0
            AG-ECP     3     28
            f potential
              2
            2     14.2200000            -33.68992012
            2      7.1100000             -5.53112021
            s-f potential
              4
            2     13.1300000            255.13936452
            2      6.5100000             36.86612154
            2     14.2200000             33.68992012
            2      7.1100000              5.53112021
            p-f potential
              4
            2     11.7400000            182.18186871
            2      6.2000000             30.35775148
            2     14.2200000             33.68992012
            2      7.1100000              5.53112021
            d-f potential
              4
            2     10.2100000             73.71926087
            2      4.3800000             12.50211712
            2     14.2200000             33.68992012
            2      7.1100000              5.53112021
            -CD     0
            CD-ECP     3     28
            f potential
              2
            2     15.1847957            -35.47662555
            2      7.5923978             -5.61767685
            s-f potential
              4
            2     13.8358689            270.00948324
            2      6.8572704             38.76730798
            2     15.1847957             35.47662555
            2      7.5923978              5.61767685
            p-f potential
              4
            2     12.4049710            193.82962939
            2      6.5677995             31.89652523
            2     15.1847957             35.47662555
            2      7.5923978              5.61767685
            d-f potential
              4
            2     10.8969253             79.19364700
            2      4.6411649             13.23082674
            2     15.1847957             35.47662555
            2      7.5923978              5.61767685
            -IN     0
            IN-ECP     3     28
            f potential
              2
            2     12.53905600           -13.72807800
            2     12.55256100           -18.20686600
            s-f potential
              4
            2     15.39282200           281.12235000
            2      8.05586400            61.90147000
            2     12.53905600            13.72807800
            2     12.55256100            18.20686600
            p-f potential
              6
            2     13.92867200            67.46215400
            2     13.34723400           134.94925000
            2      7.61413200            14.74614000
            2      7.31836500            29.63926200
            2     12.53905600            13.72807800
            2     12.55256100            18.20686600
            d-f potential
              6
            2     14.03471500            35.49325400
            2     14.51161600            53.17877300
            2      5.55055000             9.17728100
            2      5.05941500            12.39241000
            2     12.53905600            13.72807800
            2     12.55256100            18.20686600
            -SN     0
            SN-ECP     3     28
            f potential
              2
            2     12.28234800           -12.57633300
            2     12.27215000           -16.59594400
            s-f potential
              4
            2     17.42041400           279.98868200
            2      7.63115500            62.37781000
            2     12.28234800            12.57633300
            2     12.27215000            16.59594400
            p-f potential
              6
            2     16.13102400            66.16252300
            2     15.62807700           132.17439600
            2      7.32560800            16.33941700
            2      6.94251900            32.48895900
            2     12.28234800            12.57633300
            2     12.27215000            16.59594400
            d-f potential
              6
            2     15.51497600            36.38744100
            2     15.18816000            54.50784100
            2      5.45602400             8.69682300
            2      5.36310500            12.84020800
            2     12.28234800            12.57633300
            2     12.27215000            16.59594400
            -SB     0
            SB-ECP     3     28
            f potential
              2
            2     14.44497800           -15.36680100
            2     14.44929500           -20.29613800
            s-f potential
              4
            2     16.33086500           281.07158100
            2      8.55654200            61.71660400
            2     14.44497800            15.36680100
            2     14.44929500            20.29613800
            p-f potential
              6
            2     14.47033700            67.45738000
            2     13.81619400           134.93350300
            2      8.42492400            14.71634400
            2      8.09272800            29.51851200
            2     14.44497800            15.36680100
            2     14.44929500            20.29613800
            d-f potential
              6
            2     14.88633100            35.44781500
            2     15.14631900            53.14346600
            2      5.90826700             9.17922300
            2      5.59432200            13.24025300
            2     14.44497800            15.36680100
            2     14.44929500            20.29613800
            -TE     0
            TE-ECP     3     28
            f potential
              2
            2     15.20616800           -15.74545000
            2     15.20170200           -20.74244800
            s-f potential
              4
            2     16.81447300           281.04584300
            2      8.79352600            61.62065600
            2     15.20616800            15.74545000
            2     15.20170200            20.74244800
            p-f potential
              6
            2     14.87780100            67.44946400
            2     14.26973100           134.90430400
            2      8.72443500            14.68954700
            2      8.29151500            29.41506300
            2     15.20616800            15.74545000
            2     15.20170200            20.74244800
            d-f potential
              6
            2     15.20500800            35.43205700
            2     15.22584800            53.13568700
            2      6.07176900             9.06980200
            2      5.80476000            13.12230400
            2     15.20616800            15.74545000
            2     15.20170200            20.74244800
            -I     0
            I-ECP     3     28
            f potential
              4
            2     19.45860900           -21.84204000
            2     19.34926000           -28.46819100
            2      4.82376700            -0.24371300
            2      4.88431500            -0.32080400
            s-f potential
              7
            2     40.01583500            49.99429300
            2     17.42974700           281.02531700
            2      9.00548400            61.57332600
            2     19.45860900            21.84204000
            2     19.34926000            28.46819100
            2      4.82376700             0.24371300
            2      4.88431500             0.32080400
            p-f potential
              8
            2     15.35546600            67.44284100
            2     14.97183300           134.88113700
            2      8.96016400            14.67505100
            2      8.25909600            29.37566600
            2     19.45860900            21.84204000
            2     19.34926000            28.46819100
            2      4.82376700             0.24371300
            2      4.88431500             0.32080400
            d-f potential
              10
            2     15.06890800            35.43952900
            2     14.55532200            53.17605700
            2      6.71864700             9.06719500
            2      6.45639300            13.20693700
            2      1.19177900             0.08933500
            2      1.29115700             0.05238000
            2     19.45860900            21.84204000
            2     19.34926000            28.46819100
            2      4.82376700             0.24371300
            2      4.88431500             0.32080400
            -XE     0
            XE-ECP     3     28
            f potential
              4
            2     20.88155700           -23.08929500
            2     20.78344300           -30.07447500
            2      5.25338900            -0.28822700
            2      5.36118800            -0.38692400
            s-f potential
              7
            2     40.00518400            49.99796200
            2     17.81221400           281.01330300
            2      9.30415000            61.53825500
            2     20.88155700            23.08929500
            2     20.78344300            30.07447500
            2      5.25338900             0.28822700
            2      5.36118800             0.38692400
            p-f potential
              8
            2     15.70177200            67.43914200
            2     15.25860800           134.87471100
            2      9.29218400            14.66330000
            2      8.55900300            29.35473000
            2     20.88155700            23.08929500
            2     20.78344300            30.07447500
            2      5.25338900             0.28822700
            2      5.36118800             0.38692400
            d-f potential
              10
            2     15.18560000            35.43690800
            2     14.28450000            53.19577200
            2      7.12188900             9.04623200
            2      6.99196300            13.22368100
            2      0.62394600             0.08485300
            2      0.64728400             0.04415500
            2     20.88155700            23.08929500
            2     20.78344300            30.07447500
            2      5.25338900             0.28822700
            2      5.36118800             0.38692400
            -CS     0
            CS-ECP     3     46
            f potential
              1
            2      3.1232690            -28.8843090
            s-f potential
              3
            2      4.0797500             84.5477300
            2      2.4174060             16.6541730
            2      3.1232690             28.8843090
            p-f potential
              3
            2      5.5140800            157.0490590
            2      2.1603160             26.4233070
            2      3.1232690             28.8843090
            d-f potential
              3
            2      1.8074100             13.1727530
            2      0.8581820              3.3428330
            2      3.1232690             28.8843090
            -BA     0
            BA-ECP     3     46
            f potential
              1
            2      3.5894650            -33.4731740
            s-f potential
              3
            2      9.5269860            427.8458160
            2      4.4875100            204.4175300
            2      3.5894650             33.4731740
            p-f potential
              3
            2      8.3159300            293.6058640
            2      4.2922170            294.1933160
            2      3.5894650             33.4731740
            d-f potential
              3
            2      5.9161080            112.5504020
            2      2.8748420            181.7826210
            2      3.5894650             33.4731740
            -LA     0
            LA-ECP     3     46
            f potential
              1
            2      4.0286000            -36.0100160
            s-f potential
              3
            2      3.3099000             91.9321770
            2      1.6550000             -3.7887640
            2      4.0286000             36.0100160
            p-f potential
              3
            2      2.8368000             63.7594860
            2      1.4184000             -0.6479580
            2      4.0286000             36.0100160
            d-f potential
              3
            2      2.0213000             36.1161730
            2      1.0107000              0.2191140
            2      4.0286000             36.0100160
            -HF     0
            HF-ECP     3     60
            f potential
              1
            2      1.78576984            10.04672251
            s-f potential
              3
            2     14.76995900          1499.28471073
            2      7.38497940            40.28210136
            2      1.78576984           -10.04672251
            p-f potential
              3
            2      9.84948950           397.73300533
            2      4.92474450            19.31640586
            2      1.78576984           -10.04672251
            d-f potential
              3
            2      6.09675640           101.32980526
            2      3.04837820             5.87343821
            2      1.78576984           -10.04672251
            -TA     0
            TA-ECP     3     60
            f potential
              1
            2      2.01788111            12.01796094
            s-f potential
              3
            2     14.54640770          1345.88064703
            2      7.27320380            36.76680620
            2      2.01788111           -12.01796094
            p-f potential
              3
            2      9.93556529           378.42530145
            2      4.96778243            22.29309086
            2      2.01788111           -12.01796094
            d-f potential
              3
            2      6.34737691           104.88395571
            2      3.17368846             8.75584805
            2      2.01788111           -12.01796094
            -W     0
            W-ECP     3     60
            f potential
              1
            2      2.25888846            14.15257947
            s-f potential
              3
            2     14.32285640          1192.39588226
            2      7.16142810            32.52293315
            2      2.25888846           -14.15257947
            p-f potential
              3
            2     10.02164110           359.03196711
            2      5.01082040            24.03038019
            2      2.25888846           -14.15257947
            d-f potential
              3
            2      6.59799743           108.30134897
            2      3.29899871            10.98252827
            2      2.25888846           -14.15257947
            -RE     0
            RE-ECP     3     60
            f potential
              1
            2      2.50865059            16.44985227
            s-f potential
              3
            2     14.09930510          1038.95157226
            2      7.04965250            29.56173830
            2      2.50865059           -16.44985227
            p-f potential
              3
            2     10.10771690           339.54350965
            2      5.05385830            24.91369646
            2      2.50865059           -16.44985227
            d-f potential
              3
            2      6.84861794           111.69965275
            2      3.42430897            12.62432927
            2      2.50865059           -16.44985227
            -OS     0
            OS-ECP     3     60
            f potential
              1
            2      2.76707510            18.90945701
            s-f potential
              3
            2     13.87575390           885.40571914
            2      6.93787690            25.96704014
            2      2.76707510           -18.90945701
            p-f potential
              3
            2     10.19379260           320.08390185
            2      5.09689620            26.14876493
            2      2.76707510           -18.90945701
            d-f potential
              3
            2      7.09923846           115.04484313
            2      3.54961923            13.62257457
            2      2.76707510           -18.90945701
            -IR     0
            IR-ECP     3     60
            f potential
              1
            2      3.03407192            21.53103107
            s-f potential
              3
            2     13.65220260           732.26919978
            2      6.82610130            26.48472087
            2      3.03407192           -21.53103107
            p-f potential
              3
            2     10.27986840           299.48947357
            2      5.13993410            26.46623354
            2      3.03407192           -21.53103107
            d-f potential
              3
            2      7.34985897           124.45759451
            2      3.67492949            14.03599518
            2      3.03407192           -21.53103107
            -PT     0
            PT-ECP     3     60
            f potential
              1
            2      3.30956857            24.31437573
            s-f potential
              3
            2     13.42865130           579.22386092
            2      6.71432560            29.66949062
            2      3.30956857           -24.31437573
            p-f potential
              3
            2     10.36594420           280.86077422
            2      5.18297210            26.74538204
            2      3.30956857           -24.31437573
            d-f potential
              3
            2      7.60047949           120.39644429
            2      3.80023974            15.81092058
            2      3.30956857           -24.31437573
            -AU     0
            AU-ECP     3     60
            f potential
              2
            2      4.78982000            30.49008890
            2      2.39491000             5.17107381
            s-f potential
              4
            2     13.20510000           426.84667920
            2      6.60255000            37.00708285
            2      4.78982000           -30.49008890
            2      2.39491000            -5.17107381
            p-f potential
              4
            2     10.45202000           261.19958038
            2      5.22601000            26.96249604
            2      4.78982000           -30.49008890
            2      2.39491000            -5.17107381
            d-f potential
              4
            2      7.85110000           124.79066561
            2      3.92555000            16.30072573
            2      4.78982000           -30.49008890
            2      2.39491000            -5.17107381
            -HG     0
            HG-ECP     3     60
            f potential
              1
            2      3.88579112            30.36499643
            s-f potential
              3
            2     12.98154870           275.73721174
            2      6.49077440            49.08921249
            2      3.88579112           -30.36499643
            p-f potential
              3
            2     10.53809580           241.54007398
            2      5.26904790            27.39659081
            2      3.88579112           -30.36499643
            d-f potential
              3
            2      8.10172051           127.86700761
            2      4.05086026            16.60831151
            2      3.88579112           -30.36499643
            -TL     0
            TL-ECP     3     60
            f potential
              4
            2      5.62639900            15.82548800
            2      5.54895200            21.10402100
            2      2.87494600             2.91512700
            2      2.82145100             3.89690300
            s-f potential
              6
            2     12.16780500           281.28466300
            2      8.29490900            62.43425100
            2      5.62639900           -15.82548800
            2      5.54895200           -21.10402100
            2      2.87494600            -2.91512700
            2      2.82145100            -3.89690300
            p-f potential
              8
            2      7.15149200             4.63340800
            2      5.17286500             9.34175600
            2      9.89107200            72.29925300
            2      9.00339100           144.55803700
            2      5.62639900           -15.82548800
            2      5.54895200           -21.10402100
            2      2.87494600            -2.91512700
            2      2.82145100            -3.89690300
            d-f potential
              8
            2      7.13021800            35.94303900
            2      6.92690600            53.90959300
            2      5.41757000            10.38193900
            2      5.13868100            15.58382200
            2      5.62639900           -15.82548800
            2      5.54895200           -21.10402100
            2      2.87494600            -2.91512700
            2      2.82145100            -3.89690300
            -PB     0
            PB-ECP     3     60
            f potential
              2
            2      3.88751200            12.20989200
            2      3.81196300            16.19029100
            s-f potential
              4
            2     12.29630300           281.28549900
            2      8.63263400            62.52021700
            2      3.88751200           -12.20989200
            2      3.81196300           -16.19029100
            p-f potential
              6
            2     10.24179000            72.27689700
            2      8.92417600           144.59108300
            2      6.58134200             4.75869300
            2      6.25540300             9.94062100
            2      3.88751200           -12.20989200
            2      3.81196300           -16.19029100
            d-f potential
              6
            2      7.75433600            35.84850700
            2      7.72028100            53.72434200
            2      4.97026400            10.11525600
            2      4.56378900            14.83373100
            2      3.88751200           -12.20989200
            2      3.81196300           -16.19029100
            -BI     0
            BI-ECP     3     60
            f potential
              2
            2      4.21454600            13.71338300
            2      4.13340000            18.19430800
            s-f potential
              4
            2     13.04309000           283.26422700
            2      8.22168200            62.47195900
            2      4.21454600           -13.71338300
            2      4.13340000           -18.19430800
            p-f potential
              6
            2     10.46777700            72.00149900
            2      9.11890100           144.00227700
            2      6.75479100             5.00794500
            2      6.25259200             9.99155000
            2      4.21454600           -13.71338300
            2      4.13340000           -18.19430800
            d-f potential
              6
            2      8.08147400            36.39625900
            2      7.89059500            54.59766400
            2      4.95555600             9.98429400
            2      4.70455900            14.98148500
            2      4.21454600           -13.71338300
            2      4.13340000           -18.19430800
            -PO     0
            PO-ECP     3     60
            f potential
              4
            2      5.01327000            17.42829500
            2      4.98464000            23.38035300
            2      1.32676000             0.16339200
            2      1.52875800             0.32456600
            s-f potential
              6
            2     13.27722700           283.24470600
            2      8.39951800            62.39646100
            2      5.01327000           -17.42829500
            2      4.98464000           -23.38035300
            2      1.32676000            -0.16339200
            2      1.52875800            -0.32456600
            p-f potential
              8
            2     10.66568200            71.99171600
            2      9.28375300           143.97187100
            2      6.87274900             4.94961500
            2      6.32615000             9.74049900
            2      5.01327000           -17.42829500
            2      4.98464000           -23.38035300
            2      1.32676000            -0.16339200
            2      1.52875800            -0.32456600
            d-f potential
              8
            2      8.21486600            36.37838300
            2      8.00869600            54.56271500
            2      5.05522700             9.88949900
            2      4.78255300            14.69387700
            2      5.01327000           -17.42829500
            2      4.98464000           -23.38035300
            2      1.32676000            -0.16339200
            2      1.52875800            -0.32456600
            -AT     0
            AT-ECP     3     60
            f potential
              4
            2      5.81216300            19.87019800
            2      5.75371500            26.41645200
            2      2.51347200             0.99497000
            2      2.53626100             1.49070100
            s-f potential
              7
            2     30.20083200            49.95715800
            2     13.61230600           283.21037100
            2      8.52934000            62.28105200
            2      5.81216300           -19.87019800
            2      5.75371500           -26.41645200
            2      2.51347200            -0.99497000
            2      2.53626100            -1.49070100
            p-f potential
              8
            2     10.85406500            71.98237100
            2      9.46822900           143.90353200
            2      7.03111400             4.87175900
            2      6.14385800             8.98305900
            2      5.81216300           -19.87019800
            2      5.75371500           -26.41645200
            2      2.51347200            -0.99497000
            2      2.53626100            -1.49070100
            d-f potential
              8
            2      8.31351500            36.36323700
            2      7.99896500            54.54897000
            2      5.17996600             9.77628500
            2      4.94222600            14.26475500
            2      5.81216300           -19.87019800
            2      5.75371500           -26.41645200
            2      2.51347200            -0.99497000
            2      2.53626100            -1.49070100
            -RN     0
            RN-ECP     3     60
            f potential
              4
            2      6.34857100            21.79729000
            2      6.29594900            28.94680500
            2      2.88211800             1.44736500
            2      2.90804800             2.17796400
            s-f potential
              7
            2     30.15124200            49.96555100
            2     14.52124100           283.07000000
            2      8.05203800            62.00287000
            2      6.34857100           -21.79729000
            2      6.29594900           -28.94680500
            2      2.88211800            -1.44736500
            2      2.90804800            -2.17796400
            p-f potential
              8
            2     11.00994200            71.96911900
            2      9.61762500           143.86055900
            2      7.33600800             4.71476100
            2      6.40625300             9.01306500
            2      6.34857100           -21.79729000
            2      6.29594900           -28.94680500
            2      2.88211800            -1.44736500
            2      2.90804800            -2.17796400
            d-f potential
              8
            2      8.36922000            36.36836500
            2      8.11697500            54.55176100
            2      5.35365600             9.63448700
            2      5.09721200            14.38790200
            2      6.34857100           -21.79729000
            2      6.29594900           -28.94680500
            2      2.88211800            -1.44736500
            2      2.90804800            -2.17796400
            
 Initial command:
 /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l1.exe "/projects/academic/jochena/pierpa/VROA36_Benchmark/VROA_532/Experimental_Lasers/B3LYPDBJ_def2TZVPD/16_3carene_STD/Gau-91706.inp" -scrdir="/projects/academic/jochena/pierpa/VROA36_Benchmark/VROA_532/Experimental_Lasers/B3LYPDBJ_def2TZVPD/16_3carene_STD/"
 Entering Link 1 = /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l1.exe PID=     91707.
  
 Copyright (c) 1988,1990,1992,1993,1995,1998,2003,2009,2016,
            Gaussian, Inc.  All Rights Reserved.
  
 This is part of the Gaussian(R) 16 program.  It is based on
 the Gaussian(R) 09 system (copyright 2009, Gaussian, Inc.),
 the Gaussian(R) 03 system (copyright 2003, Gaussian, Inc.),
 the Gaussian(R) 98 system (copyright 1998, Gaussian, Inc.),
 the Gaussian(R) 94 system (copyright 1995, Gaussian, Inc.),
 the Gaussian 92(TM) system (copyright 1992, Gaussian, Inc.),
 the Gaussian 90(TM) system (copyright 1990, Gaussian, Inc.),
 the Gaussian 88(TM) system (copyright 1988, Gaussian, Inc.),
 the Gaussian 86(TM) system (copyright 1986, Carnegie Mellon
 University), and the Gaussian 82(TM) system (copyright 1983,
 Carnegie Mellon University). Gaussian is a federally registered
 trademark of Gaussian, Inc.
  
 This software contains proprietary and confidential information,
 including trade secrets, belonging to Gaussian, Inc.
  
 This software is provided under written license and may be
 used, copied, transmitted, or stored only in accord with that
 written license.
  
 The following legend is applicable only to US Government
 contracts under FAR:
  
                    RESTRICTED RIGHTS LEGEND
  
 Use, reproduction and disclosure by the US Government is
 subject to restrictions as set forth in subparagraphs (a)
 and (c) of the Commercial Computer Software - Restricted
 Rights clause in FAR 52.227-19.
  
 Gaussian, Inc.
 340 Quinnipiac St., Bldg. 40, Wallingford CT 06492
  
  
 ---------------------------------------------------------------
 Warning -- This program may not be used in any manner that
 competes with the business of Gaussian, Inc. or will provide
 assistance to any competitor of Gaussian, Inc.  The licensee
 of this program is prohibited from giving any competitor of
 Gaussian, Inc. access to this program.  By using this program,
 the user acknowledges that Gaussian, Inc. is engaged in the
 business of creating and licensing software in the field of
 computational chemistry and represents and warrants to the
 licensee that it is not a competitor of Gaussian, Inc. and that
 it will not use this program in any manner prohibited above.
 ---------------------------------------------------------------
  

 Cite this work as:
 Gaussian 16, Revision A.03,
 M. J. Frisch, G. W. Trucks, H. B. Schlegel, G. E. Scuseria, 
 M. A. Robb, J. R. Cheeseman, G. Scalmani, V. Barone, 
 G. A. Petersson, H. Nakatsuji, X. Li, M. Caricato, A. V. Marenich, 
 J. Bloino, B. G. Janesko, R. Gomperts, B. Mennucci, H. P. Hratchian, 
 J. V. Ortiz, A. F. Izmaylov, J. L. Sonnenberg, D. Williams-Young, 
 F. Ding, F. Lipparini, F. Egidi, J. Goings, B. Peng, A. Petrone, 
 T. Henderson, D. Ranasinghe, V. G. Zakrzewski, J. Gao, N. Rega, 
 G. Zheng, W. Liang, M. Hada, M. Ehara, K. Toyota, R. Fukuda, 
 J. Hasegawa, M. Ishida, T. Nakajima, Y. Honda, O. Kitao, H. Nakai, 
 T. Vreven, K. Throssell, J. A. Montgomery, Jr., J. E. Peralta, 
 F. Ogliaro, M. J. Bearpark, J. J. Heyd, E. N. Brothers, K. N. Kudin, 
 V. N. Staroverov, T. A. Keith, R. Kobayashi, J. Normand, 
 K. Raghavachari, A. P. Rendell, J. C. Burant, S. S. Iyengar, 
 J. Tomasi, M. Cossi, J. M. Millam, M. Klene, C. Adamo, R. Cammi, 
 J. W. Ochterski, R. L. Martin, K. Morokuma, O. Farkas, 
 J. B. Foresman, and D. J. Fox, Gaussian, Inc., Wallingford CT, 2016.
 
 ******************************************
 Gaussian 16:  ES64L-G16RevA.03 25-Dec-2016
                22-Jul-2021 
 ******************************************
 %NoSave
 %nproc=8
 Will use up to    8 processors via shared memory.
 %mem=42GB
 %chk=16_3carene_STD_B3LYPDBJ-def2TZVPDr
 ----------------------------------------------------------------------
 #P B3LYP/Gen EmpiricalDispersion=GD3BJ Integral=UltraFineGrid SCF=(NoS
 ymm,MaxCyc=120) Polar=ROA Guess=Read Geom=Check CPHF=RdFreq
 ----------------------------------------------------------------------
 1/29=2,38=1,83=21,172=1/1;
 2/12=2,40=1/2;
 3/5=7,11=2,14=-4,25=1,30=1,36=2,74=-5,75=-5,116=-2,124=41/1,2,3;
 4/5=1,9=2/1;
 5/5=2,7=120,38=6,98=1/2;
 8/6=4,10=90,11=11/1;
 10/13=10,49=112,72=3/2;
 6/7=2,8=2,9=2,10=2,28=1/1;
 7/8=1,25=21/16;
 99/5=1/99;
 Leave Link    1 at Thu Jul 22 18:07:56 2021, MaxMem=  5637144576 cpu:               0.7 elap:               0.1
 (Enter /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l101.exe)
 -----------------
 ROA calculations.
 -----------------
 Structure from the checkpoint file:  "16_3carene_STD_B3LYPDBJ-def2TZVPDr.chk"
 Charge =  0 Multiplicity = 1
 No Z-Matrix found in chk file; cartesian coordinates used.
  C                                                 0.576059000000     -0.547983000000     -0.947443000000
  C                                                 0.890468000000      0.902427000000     -0.657284000000
  C                                                -0.802273000000     -1.098603000000     -0.653320000000
  C                                                -1.791447000000     -0.132514000000     -0.059048000000
  C                                                -3.143825000000     -0.710364000000      0.239514000000
  C                                                -1.497746000000      1.141771000000      0.186488000000
  C                                                -0.177796000000      1.802825000000     -0.074903000000
  C                                                 1.553152000000     -0.190698000000      0.146729000000
  H                                                 1.028285000000     -0.960644000000     -1.841695000000
  H                                                 1.539725000000      1.397239000000     -1.369979000000
  H                                                -3.606037000000     -1.117137000000     -0.665576000000
  H                                                -3.817128000000      0.036487000000      0.660286000000
  H                                                -3.065712000000     -1.539941000000      0.949730000000
  H                                                 0.180173000000      2.267717000000      0.852903000000
  H                                                -0.342920000000      2.638631000000     -0.763675000000
  C                                                 1.181093000000     -0.401023000000      1.596800000000
  C                                                 3.016369000000     -0.450660000000     -0.138002000000
  H                                                 0.128051000000     -0.210909000000      1.793600000000
  H                                                 1.766600000000      0.261136000000      2.240469000000
  H                                                 1.400175000000     -1.428043000000      1.901625000000
  H                                                 3.251657000000     -0.290389000000     -1.191686000000
  H                                                 3.287167000000     -1.480442000000      0.112381000000
  H                                                 3.654322000000      0.213667000000      0.452009000000
  H                                                -0.731082000000     -1.975159000000      0.004567000000
  H                                                -1.231206000000     -1.482577000000     -1.585866000000
  H                                                -2.266393000000      1.779290000000      0.613726000000
 Recover connectivity data from disk.
 ITRead=  0  0  0  0  0  0  0  0  0  0  0  0  0  0  0  0  0  0  0  0
 ITRead=  0  0  0  0  0  0
 MicOpt= -1 -1 -1 -1 -1 -1 -1 -1 -1 -1 -1 -1 -1 -1 -1 -1 -1 -1 -1 -1
 MicOpt= -1 -1 -1 -1 -1 -1
 NAtoms=     26 NQM=       26 NQMF=       0 NMMI=      0 NMMIF=      0
                NMic=       0 NMicF=      0.
                    Isotopes and Nuclear Properties:
 (Nuclear quadrupole moments (NQMom) in fm**2, nuclear magnetic moments (NMagM)
  in nuclear magnetons)

  Atom         1           2           3           4           5           6           7           8           9          10
 IAtWgt=          12          12          12          12          12          12          12          12           1           1
 AtmWgt=  12.0000000  12.0000000  12.0000000  12.0000000  12.0000000  12.0000000  12.0000000  12.0000000   1.0078250   1.0078250
 NucSpn=           0           0           0           0           0           0           0           0           1           1
 AtZEff=   3.6000000   3.6000000   3.6000000   3.6000000   3.6000000   3.6000000   3.6000000   3.6000000   1.0000000   1.0000000
 NQMom=    0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000
 NMagM=    0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   2.7928460   2.7928460
 AtZNuc=   6.0000000   6.0000000   6.0000000   6.0000000   6.0000000   6.0000000   6.0000000   6.0000000   1.0000000   1.0000000

  Atom        11          12          13          14          15          16          17          18          19          20
 IAtWgt=           1           1           1           1           1          12          12           1           1           1
 AtmWgt=   1.0078250   1.0078250   1.0078250   1.0078250   1.0078250  12.0000000  12.0000000   1.0078250   1.0078250   1.0078250
 NucSpn=           1           1           1           1           1           0           0           1           1           1
 AtZEff=   1.0000000   1.0000000   1.0000000   1.0000000   1.0000000   3.6000000   3.6000000   1.0000000   1.0000000   1.0000000
 NQMom=    0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000
 NMagM=    2.7928460   2.7928460   2.7928460   2.7928460   2.7928460   0.0000000   0.0000000   2.7928460   2.7928460   2.7928460
 AtZNuc=   1.0000000   1.0000000   1.0000000   1.0000000   1.0000000   6.0000000   6.0000000   1.0000000   1.0000000   1.0000000

  Atom        21          22          23          24          25          26
 IAtWgt=           1           1           1           1           1           1
 AtmWgt=   1.0078250   1.0078250   1.0078250   1.0078250   1.0078250   1.0078250
 NucSpn=           1           1           1           1           1           1
 AtZEff=   1.0000000   1.0000000   1.0000000   1.0000000   1.0000000   1.0000000
 NQMom=    0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000
 NMagM=    2.7928460   2.7928460   2.7928460   2.7928460   2.7928460   2.7928460
 AtZNuc=   1.0000000   1.0000000   1.0000000   1.0000000   1.0000000   1.0000000
 Using perturbation frequencies:    0.085645
 Leave Link  101 at Thu Jul 22 18:07:57 2021, MaxMem=  5637144576 cpu:               1.0 elap:               0.2
 (Enter /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l202.exe)
                          Input orientation:                          
 ---------------------------------------------------------------------
 Center     Atomic      Atomic             Coordinates (Angstroms)
 Number     Number       Type             X           Y           Z
 ---------------------------------------------------------------------
      1          6           0        0.576059   -0.547983   -0.947443
      2          6           0        0.890468    0.902427   -0.657284
      3          6           0       -0.802273   -1.098603   -0.653320
      4          6           0       -1.791447   -0.132514   -0.059048
      5          6           0       -3.143825   -0.710364    0.239514
      6          6           0       -1.497746    1.141771    0.186488
      7          6           0       -0.177796    1.802825   -0.074903
      8          6           0        1.553152   -0.190698    0.146729
      9          1           0        1.028285   -0.960644   -1.841695
     10          1           0        1.539725    1.397239   -1.369979
     11          1           0       -3.606037   -1.117137   -0.665576
     12          1           0       -3.817128    0.036487    0.660286
     13          1           0       -3.065712   -1.539941    0.949730
     14          1           0        0.180173    2.267717    0.852903
     15          1           0       -0.342920    2.638631   -0.763675
     16          6           0        1.181093   -0.401023    1.596800
     17          6           0        3.016369   -0.450660   -0.138002
     18          1           0        0.128051   -0.210909    1.793600
     19          1           0        1.766600    0.261136    2.240469
     20          1           0        1.400175   -1.428043    1.901625
     21          1           0        3.251657   -0.290389   -1.191686
     22          1           0        3.287167   -1.480442    0.112381
     23          1           0        3.654322    0.213667    0.452009
     24          1           0       -0.731082   -1.975159    0.004567
     25          1           0       -1.231206   -1.482577   -1.585866
     26          1           0       -2.266393    1.779290    0.613726
 ---------------------------------------------------------------------
                    Distance matrix (angstroms):
                    1          2          3          4          5
     1  C    0.000000
     2  C    1.512195   0.000000
     3  C    1.513106   2.620975   0.000000
     4  C    2.562605   2.936266   1.504976   0.000000
     5  C    3.908039   4.436312   2.535892   1.500659   0.000000
     6  C    2.905466   2.544170   2.491633   1.330545   2.478466
     7  C    2.618381   1.513629   3.023710   2.519853   3.900296
     8  C    1.509826   1.510136   2.648093   3.351428   4.726548
     9  H    1.083736   2.211980   2.186827   3.437225   4.669108
    10  H    2.211578   1.083655   3.496825   3.892993   5.382202
    11  H    4.230049   4.929226   2.803852   2.151766   1.094665
    12  H    4.714498   4.964605   3.478986   2.156244   1.090033
    13  H    4.224422   4.919249   2.808506   2.149938   1.094855
    14  H    3.365433   2.156200   3.816545   3.237290   4.504906
    15  H    3.321566   2.132362   3.766975   3.205304   4.479646
    16  C    2.619320   2.619988   3.079513   3.413198   4.543438
    17  C    2.572893   2.572927   3.907353   4.818978   6.177213
    18  H    2.797793   2.797790   2.764222   2.668880   3.656475
    19  H    3.497834   3.094484   4.101465   4.254696   5.390724
    20  H    3.093681   3.498415   3.389255   3.963469   4.891381
    21  H    2.699043   2.698816   4.168620   5.171140   6.567108
    22  H    3.056602   3.466210   4.177992   5.257244   6.478182
    23  H    3.466162   3.056765   4.775463   5.480641   6.863949
    24  H    2.156797   3.368675   1.098287   2.126914   2.734271
    25  H    2.132430   3.324456   1.095930   2.113697   2.754349
    26  H    3.991614   3.514275   3.468619   2.081632   2.666139
                    6          7          8          9         10
     6  C    0.000000
     7  C    1.499195   0.000000
     8  C    3.329419   2.649422   0.000000
     9  H    3.861931   3.494703   2.195935   0.000000
    10  H    3.422584   2.188972   2.195934   2.458394   0.000000
    11  H    3.205241   4.541796   5.304277   4.783794   5.770367
    12  H    2.612598   4.111592   5.399561   5.543664   5.888081
    13  H    3.198849   4.534756   4.878439   4.988833   5.934486
    14  H    2.127740   1.097766   2.903026   4.289810   2.747238
    15  H    2.115898   1.095557   3.525483   3.999639   2.335168
    16  C    3.397848   3.081901   1.511744   3.487087   3.487713
    17  C    4.797746   3.909586   1.513161   2.667420   2.667016
    18  H    2.656270   2.764050   2.177959   3.819410   3.819319
    19  H    3.956047   3.393881   2.152548   4.324571   3.791772
    20  H    4.235987   4.103068   2.152692   3.790674   4.324938
    21  H    5.148522   4.170120   2.164766   2.411459   2.410516
    22  H    5.456820   4.777121   2.161349   3.031691   3.678586
    23  H    5.241725   4.181888   2.161394   3.679151   3.031832
    24  H    3.214984   3.819110   2.902109   2.744685   4.291737
    25  H    3.177969   3.766503   3.524697   2.333059   4.002250
    26  H    1.086177   2.199318   4.322946   4.938748   4.309012
                   11         12         13         14         15
    11  H    0.000000
    12  H    1.770118   0.000000
    13  H    1.754972   1.770178   0.000000
    14  H    5.300793   4.581911   5.004339   0.000000
    15  H    4.976279   4.568253   5.273501   1.739117   0.000000
    16  C    5.343012   5.103987   4.444231   2.945742   4.139318
    17  C    6.676735   6.897192   6.273867   4.051601   4.606518
    18  H    4.562040   4.112182   3.560697   2.651644   3.857635
    19  H    6.261786   5.807363   5.316119   2.910061   4.373493
    20  H    5.634655   5.559318   4.567578   4.030740   5.165273
    21  H    6.927357   7.314668   6.786471   4.489796   4.656537
    22  H    6.946472   7.285072   6.408102   4.924478   5.559835
    23  H    7.465444   7.476452   6.962882   4.055804   4.830764
    24  H    3.074193   3.741706   2.556021   4.421771   4.693391
    25  H    2.572995   3.746965   3.130168   4.690873   4.295277
    26  H    3.438103   2.333304   3.430613   2.506282   2.517032
                   16         17         18         19         20
    16  C    0.000000
    17  C    2.525914   0.000000
    18  H    1.088012   3.482951   0.000000
    19  H    1.093427   2.779514   1.762771   0.000000
    20  H    1.093474   2.779827   1.763912   1.761365   0.000000
    21  H    3.474929   1.091466   4.321477   3.780114   3.780319
    22  H    2.793599   1.093835   3.797134   3.142288   2.600938
    23  H    2.793788   1.093813   3.796672   2.600834   3.142893
    24  H    2.944405   4.048186   2.655433   4.029726   2.905240
    25  H    4.137428   4.604678   3.858174   5.164128   4.369180
    26  H    4.195874   5.783195   3.329618   4.606096   5.038789
                   21         22         23         24         25
    21  H    0.000000
    22  H    1.765808   0.000000
    23  H    1.765770   1.766396   0.000000
    24  H    4.486834   4.050024   4.921680   0.000000
    25  H    4.655400   4.826981   5.558648   1.738459   0.000000
    26  H    6.163762   6.459042   6.126352   4.101724   4.068119
                   26
    26  H    0.000000
 Stoichiometry    C10H16
 Framework group  C1[X(C10H16)]
 Deg. of freedom    72
 Full point group                 C1      NOp   1
 RotChk:  IX=0 Diff= 1.57D-16
 Largest Abelian subgroup         C1      NOp   1
 Largest concise Abelian subgroup C1      NOp   1
                         Standard orientation:                         
 ---------------------------------------------------------------------
 Center     Atomic      Atomic             Coordinates (Angstroms)
 Number     Number       Type             X           Y           Z
 ---------------------------------------------------------------------
      1          6           0        0.576059   -0.547983   -0.947443
      2          6           0        0.890468    0.902427   -0.657284
      3          6           0       -0.802273   -1.098603   -0.653320
      4          6           0       -1.791447   -0.132514   -0.059048
      5          6           0       -3.143825   -0.710364    0.239514
      6          6           0       -1.497746    1.141771    0.186488
      7          6           0       -0.177796    1.802825   -0.074903
      8          6           0        1.553152   -0.190698    0.146729
      9          1           0        1.028285   -0.960644   -1.841695
     10          1           0        1.539725    1.397239   -1.369979
     11          1           0       -3.606037   -1.117137   -0.665576
     12          1           0       -3.817128    0.036487    0.660286
     13          1           0       -3.065712   -1.539941    0.949730
     14          1           0        0.180173    2.267717    0.852903
     15          1           0       -0.342920    2.638631   -0.763675
     16          6           0        1.181093   -0.401023    1.596800
     17          6           0        3.016369   -0.450660   -0.138002
     18          1           0        0.128051   -0.210909    1.793600
     19          1           0        1.766600    0.261136    2.240469
     20          1           0        1.400175   -1.428043    1.901625
     21          1           0        3.251657   -0.290389   -1.191686
     22          1           0        3.287167   -1.480442    0.112381
     23          1           0        3.654322    0.213667    0.452009
     24          1           0       -0.731082   -1.975159    0.004567
     25          1           0       -1.231206   -1.482577   -1.585866
     26          1           0       -2.266393    1.779290    0.613726
 ---------------------------------------------------------------------
 Rotational constants (GHZ):           2.4724293           0.9589096           0.8790852
 Leave Link  202 at Thu Jul 22 18:07:57 2021, MaxMem=  5637144576 cpu:               0.1 elap:               0.1
 (Enter /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l301.exe)
 General basis read from cards:  (5D, 7F)
 Centers:       9     10     11     12     13     14     15     18     19     20
 Centers:      21     22     23     24     25     26
 S 3 1.00
     Exponent=  3.4061341000D+01 Coefficients=  6.0251978000D-03
     Exponent=  5.1235746000D+00 Coefficients=  4.5021094000D-02
     Exponent=  1.1646626000D+00 Coefficients=  2.0189726000D-01
 S 1 1.00
     Exponent=  3.2723041000D-01 Coefficients=  1.0000000000D+00
 S 1 1.00
     Exponent=  1.0307241000D-01 Coefficients=  1.0000000000D+00
 P 1 1.00
     Exponent=  8.0000000000D-01 Coefficients=  1.0000000000D+00
 P 1 1.00
     Exponent=  9.5774129632D-02 Coefficients=  1.0000000000D+00
 ****
 Centers:       1      2      3      4      5      6      7      8     16     17
 S 6 1.00
     Exponent=  1.3575349682D+04 Coefficients=  2.2245814352D-04
     Exponent=  2.0352333680D+03 Coefficients=  1.7232738252D-03
     Exponent=  4.6322562359D+02 Coefficients=  8.9255715314D-03
     Exponent=  1.3120019598D+02 Coefficients=  3.5727984502D-02
     Exponent=  4.2853015891D+01 Coefficients=  1.1076259931D-01
     Exponent=  1.5584185766D+01 Coefficients=  2.4295627626D-01
 S 2 1.00
     Exponent=  6.2067138508D+00 Coefficients=  4.1440263448D-01
     Exponent=  2.5764896527D+00 Coefficients=  2.3744968655D-01
 S 1 1.00
     Exponent=  5.7696339419D-01 Coefficients=  1.0000000000D+00
 S 1 1.00
     Exponent=  2.2972831358D-01 Coefficients=  1.0000000000D+00
 S 1 1.00
     Exponent=  9.5164440028D-02 Coefficients=  1.0000000000D+00
 S 1 1.00
     Exponent=  4.8475401370D-02 Coefficients=  1.0000000000D+00
 P 4 1.00
     Exponent=  3.4697232244D+01 Coefficients=  5.3333657805D-03
     Exponent=  7.9582622826D+00 Coefficients=  3.5864109092D-02
     Exponent=  2.3780826883D+00 Coefficients=  1.4215873329D-01
     Exponent=  8.1433208183D-01 Coefficients=  3.4270471845D-01
 P 1 1.00
     Exponent=  2.8887547253D-01 Coefficients=  4.6445822433D-01
 P 1 1.00
     Exponent=  1.0056823671D-01 Coefficients=  2.4955789874D-01
 D 1 1.00
     Exponent=  1.0970000000D+00 Coefficients=  1.0000000000D+00
 D 1 1.00
     Exponent=  3.1800000000D-01 Coefficients=  1.0000000000D+00
 D 1 1.00
     Exponent=  9.0985336424D-02 Coefficients=  1.0000000000D+00
 F 1 1.00
     Exponent=  7.6100000000D-01 Coefficients=  1.0000000000D+00
 ****
 Ernie: Thresh=  0.10000D-02 Tol=  0.10000D-05 Strict=F.
 There are   574 symmetry adapted cartesian basis functions of A   symmetry.
 There are   514 symmetry adapted basis functions of A   symmetry.
   514 basis functions,   756 primitive gaussians,   574 cartesian basis functions
    38 alpha electrons       38 beta electrons
       nuclear repulsion energy       551.5317654388 Hartrees.
 IExCor=  402 DFT=T Ex+Corr=B3LYP ExCW=0 ScaHFX=  0.200000
 ScaDFX=  0.800000  0.720000  1.000000  0.810000 ScalE2=  1.000000  1.000000
 IRadAn=      5 IRanWt=     -1 IRanGd=            0 ICorTp=0 IEmpDi=141
 NAtoms=   26 NActive=   26 NUniq=   26 SFac= 1.00D+00 NAtFMM=   60 NAOKFM=F Big=F
 Integral buffers will be    131072 words long.
 Raffenetti 2 integral format.
 Two-electron integral symmetry is turned on.
 R6Disp:  Grimme-D3(BJ) Dispersion energy=       -0.0458224712 Hartrees.
 Nuclear repulsion after empirical dispersion term =      551.4859429675 Hartrees.
 Leave Link  301 at Thu Jul 22 18:07:58 2021, MaxMem=  5637144576 cpu:               5.0 elap:               0.7
 (Enter /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l302.exe)
 NPDir=0 NMtPBC=     1 NCelOv=     1 NCel=       1 NClECP=     1 NCelD=      1
         NCelK=      1 NCelE2=     1 NClLst=     1 CellRange=     0.0.
 One-electron integrals computed using PRISM.
 One-electron integral symmetry used in STVInt
 NBasis=   514 RedAO= T EigKep=  1.18D-06  NBF=   514
 NBsUse=   512 1.00D-06 EigRej=  9.74D-07 NBFU=   512
 Precomputing XC quadrature grid using
 IXCGrd= 4 IRadAn=           5 IRanWt=          -1 IRanGd=           0 AccXCQ= 0.00D+00.
 Generated NRdTot=       0 NPtTot=           0 NUsed=           0 NTot=          32
 NSgBfM=   572   572   572   572   572 MxSgAt=    26 MxSgA2=    26.
 Leave Link  302 at Thu Jul 22 18:07:58 2021, MaxMem=  5637144576 cpu:               4.8 elap:               0.6
 (Enter /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l303.exe)
 DipDrv:  MaxL=2.
 Leave Link  303 at Thu Jul 22 18:07:59 2021, MaxMem=  5637144576 cpu:               0.8 elap:               0.2
 (Enter /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l401.exe)
 Initial guess from the checkpoint file:  "16_3carene_STD_B3LYPDBJ-def2TZVPDr.chk"
 SCF N**3 symmetry information disabled.
 B after Tr=     0.000000   -0.000000    0.000000
         Rot=    1.000000    0.000000   -0.000000   -0.000000 Ang=   0.00 deg.
 Guess basis will be translated and rotated to current coordinates.
 JPrj=2 DoOrth=T DoCkMO=T.
 Leave Link  401 at Thu Jul 22 18:07:59 2021, MaxMem=  5637144576 cpu:               5.4 elap:               0.7
 (Enter /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l502.exe)
 Integral symmetry usage will be decided dynamically.
 Closed shell SCF:
 Using DIIS extrapolation, IDIIS=  1040.
 NGot=  5637144576 LenX=  5636475886 LenY=  5636145836
 Requested convergence on RMS density matrix=1.00D-08 within 120 cycles.
 Requested convergence on MAX density matrix=1.00D-06.
 Requested convergence on             energy=1.00D-06.
 No special actions if energy rises.
 Fock matrices will be formed incrementally for  20 cycles.

 Cycle   1  Pass 1  IDiag  1:
 FoFJK:  IHMeth= 1 ICntrl=       0 DoSepK=F KAlg= 0 I1Cent=           0 FoldK=F
 IRaf= 960000000 NMat=       1 IRICut=       1 DoRegI=T DoRafI=F ISym2E= 0 IDoP0=0 IntGTp=1.
 FoFCou: FMM=F IPFlag=           0 FMFlag=      100000 FMFlg1=           0
         NFxFlg=           0 DoJE=F BraDBF=F KetDBF=F FulRan=T
         wScrn=  0.000000 ICntrl=         0 IOpCl=  0 I1Cent=           0 NGrid=           0
         NMat0=    1 NMatS0=      1 NMatT0=    0 NMatD0=    1 NMtDS0=    0 NMtDT0=    0
 Symmetry not used in FoFCou.
 E= -390.855837223895    
 DIIS: error= 1.82D-03 at cycle   1 NSaved=   1.
 NSaved= 1 IEnMin= 1 EnMin= -390.855837223895     IErMin= 1 ErrMin= 1.82D-03
 ErrMax= 1.82D-03  0.00D+00 EMaxC= 1.00D-01 BMatC= 2.60D-03 BMatP= 2.60D-03
 IDIUse=3 WtCom= 9.82D-01 WtEn= 1.82D-02
 Coeff-Com:  0.100D+01
 Coeff-En:   0.100D+01
 Coeff:      0.100D+01
 Gap=     0.256 Goal=   None    Shift=    0.000
 GapD=    0.256 DampG=1.000 DampE=1.000 DampFc=1.0000 IDamp=-1.
 RMSDP=8.43D-03 MaxDP=7.80D-01              OVMax= 6.70D-03

 Cycle   2  Pass 1  IDiag  1:
 RMSU=  8.42D-03    CP:  1.08D+00
 E= -390.856869675932     Delta-E=       -0.001032452037 Rises=F Damp=F
 DIIS: error= 2.54D-05 at cycle   2 NSaved=   2.
 NSaved= 2 IEnMin= 2 EnMin= -390.856869675932     IErMin= 2 ErrMin= 2.54D-05
 ErrMax= 2.54D-05  0.00D+00 EMaxC= 1.00D-01 BMatC= 8.72D-07 BMatP= 2.60D-03
 IDIUse=1 WtCom= 1.00D+00 WtEn= 0.00D+00
 Coeff-Com: -0.781D-02 0.101D+01
 Coeff:     -0.781D-02 0.101D+01
 Gap=     0.233 Goal=   None    Shift=    0.000
 RMSDP=3.76D-04 MaxDP=3.45D-02 DE=-1.03D-03 OVMax= 4.80D-04

 Cycle   3  Pass 1  IDiag  1:
 RMSU=  1.65D-04    CP:  1.08D+00  1.04D+00
 E= -390.856870955784     Delta-E=       -0.000001279852 Rises=F Damp=F
 DIIS: error= 1.97D-05 at cycle   3 NSaved=   3.
 NSaved= 3 IEnMin= 3 EnMin= -390.856870955784     IErMin= 3 ErrMin= 1.97D-05
 ErrMax= 1.97D-05  0.00D+00 EMaxC= 1.00D-01 BMatC= 3.34D-07 BMatP= 8.72D-07
 IDIUse=1 WtCom= 1.00D+00 WtEn= 0.00D+00
 Coeff-Com: -0.315D-02 0.379D+00 0.625D+00
 Coeff:     -0.315D-02 0.379D+00 0.625D+00
 Gap=     0.233 Goal=   None    Shift=    0.000
 RMSDP=1.22D-05 MaxDP=8.66D-04 DE=-1.28D-06 OVMax= 1.95D-04

 Cycle   4  Pass 1  IDiag  1:
 RMSU=  6.81D-06    CP:  1.08D+00  1.04D+00  1.04D+00
 E= -390.856871221945     Delta-E=       -0.000000266161 Rises=F Damp=F
 DIIS: error= 1.05D-05 at cycle   4 NSaved=   4.
 NSaved= 4 IEnMin= 4 EnMin= -390.856871221945     IErMin= 4 ErrMin= 1.05D-05
 ErrMax= 1.05D-05  0.00D+00 EMaxC= 1.00D-01 BMatC= 8.79D-08 BMatP= 3.34D-07
 IDIUse=1 WtCom= 1.00D+00 WtEn= 0.00D+00
 Coeff-Com: -0.791D-04-0.318D-02 0.335D+00 0.668D+00
 Coeff:     -0.791D-04-0.318D-02 0.335D+00 0.668D+00
 Gap=     0.233 Goal=   None    Shift=    0.000
 RMSDP=5.39D-06 MaxDP=4.50D-04 DE=-2.66D-07 OVMax= 5.66D-05

 Cycle   5  Pass 1  IDiag  1:
 RMSU=  2.28D-06    CP:  1.08D+00  1.04D+00  1.05D+00  8.51D-01
 E= -390.856871311367     Delta-E=       -0.000000089422 Rises=F Damp=F
 DIIS: error= 1.36D-06 at cycle   5 NSaved=   5.
 NSaved= 5 IEnMin= 5 EnMin= -390.856871311367     IErMin= 5 ErrMin= 1.36D-06
 ErrMax= 1.36D-06  0.00D+00 EMaxC= 1.00D-01 BMatC= 2.44D-09 BMatP= 8.79D-08
 IDIUse=1 WtCom= 1.00D+00 WtEn= 0.00D+00
 Coeff-Com:  0.402D-04-0.107D-01 0.144D+00 0.313D+00 0.554D+00
 Coeff:      0.402D-04-0.107D-01 0.144D+00 0.313D+00 0.554D+00
 Gap=     0.233 Goal=   None    Shift=    0.000
 RMSDP=4.33D-07 MaxDP=2.93D-05 DE=-8.94D-08 OVMax= 8.94D-06

 Cycle   6  Pass 1  IDiag  1:
 RMSU=  3.44D-07    CP:  1.08D+00  1.04D+00  1.06D+00  8.74D-01  1.00D+00
 E= -390.856871313480     Delta-E=       -0.000000002112 Rises=F Damp=F
 DIIS: error= 4.00D-07 at cycle   6 NSaved=   6.
 NSaved= 6 IEnMin= 6 EnMin= -390.856871313480     IErMin= 6 ErrMin= 4.00D-07
 ErrMax= 4.00D-07  0.00D+00 EMaxC= 1.00D-01 BMatC= 1.73D-10 BMatP= 2.44D-09
 IDIUse=1 WtCom= 1.00D+00 WtEn= 0.00D+00
 Coeff-Com:  0.258D-04-0.489D-02 0.413D-01 0.944D-01 0.263D+00 0.606D+00
 Coeff:      0.258D-04-0.489D-02 0.413D-01 0.944D-01 0.263D+00 0.606D+00
 Gap=     0.233 Goal=   None    Shift=    0.000
 RMSDP=1.29D-07 MaxDP=1.01D-05 DE=-2.11D-09 OVMax= 4.48D-06

 Cycle   7  Pass 1  IDiag  1:
 RMSU=  1.16D-07    CP:  1.08D+00  1.04D+00  1.06D+00  8.75D-01  1.01D+00
                    CP:  8.84D-01
 E= -390.856871313624     Delta-E=       -0.000000000144 Rises=F Damp=F
 DIIS: error= 1.19D-07 at cycle   7 NSaved=   7.
 NSaved= 7 IEnMin= 7 EnMin= -390.856871313624     IErMin= 7 ErrMin= 1.19D-07
 ErrMax= 1.19D-07  0.00D+00 EMaxC= 1.00D-01 BMatC= 1.41D-11 BMatP= 1.73D-10
 IDIUse=1 WtCom= 1.00D+00 WtEn= 0.00D+00
 Coeff-Com:  0.116D-04-0.205D-02 0.144D-01 0.338D-01 0.110D+00 0.318D+00
 Coeff-Com:  0.526D+00
 Coeff:      0.116D-04-0.205D-02 0.144D-01 0.338D-01 0.110D+00 0.318D+00
 Coeff:      0.526D+00
 Gap=     0.233 Goal=   None    Shift=    0.000
 RMSDP=2.74D-08 MaxDP=2.20D-06 DE=-1.44D-10 OVMax= 2.39D-06

 Cycle   8  Pass 1  IDiag  1:
 RMSU=  2.01D-08    CP:  1.08D+00  1.04D+00  1.06D+00  8.76D-01  1.01D+00
                    CP:  9.11D-01  9.72D-01
 E= -390.856871313618     Delta-E=        0.000000000005 Rises=F Damp=F
 DIIS: error= 4.51D-08 at cycle   8 NSaved=   8.
 NSaved= 8 IEnMin= 7 EnMin= -390.856871313624     IErMin= 8 ErrMin= 4.51D-08
 ErrMax= 4.51D-08  0.00D+00 EMaxC= 1.00D-01 BMatC= 2.50D-12 BMatP= 1.41D-11
 IDIUse=1 WtCom= 1.00D+00 WtEn= 0.00D+00
 Coeff-Com:  0.197D-05-0.299D-03 0.100D-02 0.273D-02 0.174D-01 0.831D-01
 Coeff-Com:  0.316D+00 0.580D+00
 Coeff:      0.197D-05-0.299D-03 0.100D-02 0.273D-02 0.174D-01 0.831D-01
 Coeff:      0.316D+00 0.580D+00
 Gap=     0.233 Goal=   None    Shift=    0.000
 RMSDP=1.36D-08 MaxDP=1.01D-06 DE= 5.23D-12 OVMax= 9.10D-07

 Cycle   9  Pass 1  IDiag  1:
 RMSU=  1.03D-08    CP:  1.08D+00  1.04D+00  1.06D+00  8.76D-01  1.02D+00
                    CP:  9.13D-01  9.70D-01  9.76D-01
 E= -390.856871313615     Delta-E=        0.000000000004 Rises=F Damp=F
 DIIS: error= 1.35D-08 at cycle   9 NSaved=   9.
 NSaved= 9 IEnMin= 7 EnMin= -390.856871313624     IErMin= 9 ErrMin= 1.35D-08
 ErrMax= 1.35D-08  0.00D+00 EMaxC= 1.00D-01 BMatC= 1.42D-13 BMatP= 2.50D-12
 IDIUse=1 WtCom= 1.00D+00 WtEn= 0.00D+00
 Coeff-Com:  0.215D-06-0.136D-04-0.430D-03-0.851D-03 0.147D-02 0.203D-01
 Coeff-Com:  0.119D+00 0.294D+00 0.567D+00
 Coeff:      0.215D-06-0.136D-04-0.430D-03-0.851D-03 0.147D-02 0.203D-01
 Coeff:      0.119D+00 0.294D+00 0.567D+00
 Gap=     0.233 Goal=   None    Shift=    0.000
 RMSDP=3.52D-09 MaxDP=2.80D-07 DE= 3.52D-12 OVMax= 1.32D-07

 SCF Done:  E(RB3LYP) =  -390.856871314     A.U. after    9 cycles
            NFock=  9  Conv=0.35D-08     -V/T= 2.0056
 KE= 3.886613061355D+02 PE=-2.007854218202D+03 EE= 6.768500977850D+02
 Leave Link  502 at Thu Jul 22 18:12:31 2021, MaxMem=  5637144576 cpu:            2165.5 elap:             271.4
 (Enter /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l801.exe)
 DoSCS=F DFT=T ScalE2(SS,OS)=  1.000000  1.000000
 Range of M.O.s used for correlation:     1   512
 NBasis=   514 NAE=    38 NBE=    38 NFC=     0 NFV=     0
 NROrb=    512 NOA=    38 NOB=    38 NVA=   474 NVB=   474

 **** Warning!!: The largest alpha MO coefficient is  0.16817588D+03

 Leave Link  801 at Thu Jul 22 18:12:31 2021, MaxMem=  5637144576 cpu:               0.3 elap:               0.1
 (Enter /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l1002.exe)
 Minotr:  Closed shell wavefunction.
          Direct CPHF calculation.
          Differentiating once with respect to electric field.
                with respect to dipole field.
                with respect to quadrupole field.
          Differentiating once with respect to magnetic field using GIAOs.
          Electric field/nuclear overlap derivatives assumed to be zero.
          Requested convergence is 1.0D-08 RMS, and 1.0D-07 maximum.
          Secondary convergence is 1.0D-12 RMS, and 1.0D-12 maximum.
          NewPWx=F KeepS1=T KeepF1=T KeepIn=T MapXYZ=F SortEE=F KeepMc=T.
         7875 words used for storage of precomputed grid.
 Two-electron integral symmetry used by symmetrizing perturbed Fock matrices.
          MDV=    5637144576 using IRadAn=       1.
          Solving linear equations simultaneously, MaxMat=     384.
          Doing perturbations at frequencies    0.085645
 FoFCou: FMM=F IPFlag=           0 FMFlag=      100000 FMFlg1=           0
         NFxFlg=           0 DoJE=F BraDBF=F KetDBF=T FulRan=T
         wScrn=  0.000000 ICntrl=      6100 IOpCl=  0 I1Cent=           7 NGrid=          26
         NMat0=    1 NMatS0=      1 NMatT0=    0 NMatD0=    1 NMtDS0=    0 NMtDT0=    0
 Symmetry not used in FoFCou.
 FoFJK:  IHMeth= 1 ICntrl=    6127 DoSepK=F KAlg= 0 I1Cent=           0 FoldK=F
 IRaf=         1 NMat=       1 IRICut=       1 DoRegI=T DoRafI=F ISym2E= 0 IDoP0=0 IntGTp=1.
 CalDSu exits because no D1Ps are significant.
          There are    12 degrees of freedom in the 1st order CPHF.  IDoFFX=0 NUNeed=    12.
     11 vectors produced by pass  0 Test12= 3.00D-13 8.33D-09 XBig12= 1.00D+00 4.86D-01.
 AX will form    11 AO Fock derivatives at one time.
     11 vectors produced by pass  1 Test12= 3.00D-13 8.33D-09 XBig12= 3.09D-01 8.40D-02.
     11 vectors produced by pass  2 Test12= 3.00D-13 8.33D-09 XBig12= 6.75D-02 4.15D-02.
     11 vectors produced by pass  3 Test12= 3.00D-13 8.33D-09 XBig12= 2.50D-03 8.18D-03.
     11 vectors produced by pass  4 Test12= 3.00D-13 8.33D-09 XBig12= 1.24D-04 1.98D-03.
     11 vectors produced by pass  5 Test12= 3.00D-13 8.33D-09 XBig12= 4.45D-06 3.90D-04.
     11 vectors produced by pass  6 Test12= 3.00D-13 8.33D-09 XBig12= 1.18D-07 7.32D-05.
     11 vectors produced by pass  7 Test12= 3.00D-13 8.33D-09 XBig12= 1.69D-09 8.82D-06.
     11 vectors produced by pass  8 Test12= 3.00D-13 8.33D-09 XBig12= 3.00D-11 5.53D-07.
      9 vectors produced by pass  9 Test12= 3.00D-13 8.33D-09 XBig12= 5.01D-13 9.96D-08.
 InvSVY:  IOpt=1 It=  1 EMax= 7.11D-14
 Solved reduced A of dimension   108 with    12 vectors.
 FullF1:  Do perturbations      1 to      12.
 SCF Polarizability for W=    0.085645:
                1             2             3 
      1  0.134693D+03
      2  0.447263D+01  0.122630D+03
      3  0.383407D+00  0.249642D+01  0.102748D+03
 Isotropic polarizability for W=    0.085645      120.02 Bohr**3.
 Dipole-quadrupole polarizability for W=    0.085645:
                 1             2             3 
      1  -0.210010D+02 -0.522645D+02  0.818575D+01
      2   0.124542D+01  0.505894D+02 -0.128746D+02
      3   0.197556D+02  0.167513D+01  0.468887D+01
      4  -0.464071D+02 -0.496054D+02 -0.224489D+02
      5   0.229939D+02 -0.202319D+02  0.351354D+02
      6  -0.105649D+02  0.536362D+01 -0.209446D+02
 Dipole-magnetic dipole polarizability for W=    0.085645:
                 1             2             3 
      1   0.119922D+01 -0.114633D-01  0.338920D+01
      2   0.988709D+01 -0.833083D+01  0.110015D+02
      3   0.196688D+02  0.293435D+02  0.665288D+01
 DQ contribution to OR G for W=    0.085645:
                 1             2             3 
      1   0.221698D+01  0.182382D+02  0.226198D+02
      2  -0.148081D+02 -0.118839D+02  0.153798D+02
      3   0.585749D+01  0.508508D+02  0.966693D+01
 Optical Rotation G' tensor for W=    0.085645:
                 1             2             3 
      1  -0.284730D+00 -0.204014D+01 -0.220485D+01
      2  -0.204014D+01  0.955071D+00 -0.180743D+01
      3  -0.220485D+01 -0.180743D+01 -0.114908D+01
 OR G Eigenvalues:    -4.3403     1.3830     2.4786  Iso=     0.1596
 Eigenvectors:
   (1)   0.591016   0.455041   0.666061
   (2)  -0.590075  -0.319115   0.741605
   (3)  -0.550011   0.831326  -0.079906
 w=    0.085645 a.u., Optical Rotation Beta=      0.1596 au.
 Molar Mass =    136.2364 grams/mole, [Alpha] ( 5320.0 A) =       55.55 deg.
 PxScal for PaGxPb-FJK:  IOpCl= 0 ISclPx=1 IMOff=     1 NMtTot=    25 NTT=  132355 ScalPx= 4.75D+01
 PxSclF for G(T1ab):  IOpCl= 0 ISclPx=1 IMOff=     0 NMtTot=    36 NTT=  132355 IRwP= 19996     0 IPTmp= 19977     0 ScalPx= 2.81D+03
 FullF1:  Do perturbations      1 to      30.
          There are    36 degrees of freedom in the 2nd order CPHF.
     30 vectors produced by pass  0 Test12= 5.00D-14 2.78D-09 XBig12= 1.00D+00 3.55D-01.
     30 vectors produced by pass  1 Test12= 5.00D-14 2.78D-09 XBig12= 3.01D-02 2.51D-02.
     30 vectors produced by pass  2 Test12= 5.00D-14 2.78D-09 XBig12= 1.63D-03 5.02D-03.
     30 vectors produced by pass  3 Test12= 5.00D-14 2.78D-09 XBig12= 2.16D-05 4.53D-04.
     30 vectors produced by pass  4 Test12= 5.00D-14 2.78D-09 XBig12= 2.55D-07 5.29D-05.
     30 vectors produced by pass  5 Test12= 5.00D-14 2.78D-09 XBig12= 1.48D-09 3.52D-06.
     30 vectors produced by pass  6 Test12= 5.00D-14 2.78D-09 XBig12= 4.68D-12 1.76D-07.
     11 vectors produced by pass  7 Test12= 5.00D-14 2.78D-09 XBig12= 1.15D-14 8.05D-09.
      1 vectors produced by pass  8 Test12= 5.00D-14 2.78D-09 XBig12= 9.62D-16 3.19D-09.
 InvSVY:  IOpt=1 It=  1 EMax= 2.11D-15
 Solved reduced A of dimension   222 with    30 vectors.
 PxScal for FxTab-FJK:  IOpCl= 0 ISclPx=1 IMOff=     0 NMtTot=    30 NTT=  132355 ScalPx= 2.70D+03
 PxScal for FxTab-XC:  IOpCl= 0 ISclPx=1 IMOff=     0 NMtTot=    30 NTT=  132355 ScalPx= 2.70D+03
 PxSclF for G(Xab):  IOpCl= 0 ISclPx=1 IMOff=     0 NMtTot=    36 NTT=  132355 IRwP= 19978     0 IPTmp= 19973     0 ScalPx= 2.16D+03
 FullF1:  Do perturbations      1 to      30.
 End of Minotr F.D. properties on file   721 Mask=       B NFrqRd=     1 NDeriv=     1 ND12= 1 LenFil=      39:
 Frequencies=    0.085645
 Property number 1 -- Alpha(-w,w) frequency  1    0.085645:
                 1             2             3 
      1   0.134693D+03  0.447263D+01  0.383407D+00
      2   0.447263D+01  0.122630D+03  0.249642D+01
      3   0.383407D+00  0.249642D+01  0.102748D+03
 Property number 2 -- FD Optical Rotation Tensor frequency  1    0.085645:
                 1             2             3 
      1   0.119922D+01 -0.114633D-01  0.338920D+01
      2   0.988709D+01 -0.833083D+01  0.110015D+02
      3   0.196688D+02  0.293435D+02  0.665288D+01
 Property number 4 -- D-Q polarizability frequency  1    0.085645:
                 1             2             3 
      1  -0.210010D+02 -0.522645D+02  0.818575D+01
      2   0.124542D+01  0.505894D+02 -0.128746D+02
      3   0.197556D+02  0.167513D+01  0.468887D+01
      4  -0.464071D+02 -0.496054D+02 -0.224489D+02
      5   0.229939D+02 -0.202319D+02  0.351354D+02
      6  -0.105649D+02  0.536362D+01 -0.209446D+02
 End of Minotr F.D. properties on file   722 Mask=       B NFrqRd=     1 NDeriv=    78 ND12= 1 LenFil=    2811:
 Frequencies=    0.085645
 Property number 1 -- Alpha(-w,w) derivatives, frequency  1    0.085645:
                 1             2             3             4             5 
      1  -0.292033D+01 -0.690659D+00 -0.200386D+01  0.141729D+00 -0.215728D+01
      2  -0.690659D+00 -0.485436D+00 -0.139423D+01 -0.215728D+01 -0.473732D+01
      3  -0.200386D+01 -0.139423D+01 -0.459166D+01 -0.131651D+00 -0.363668D-01
                 6             7             8             9            10 
      1  -0.131651D+00 -0.418470D+01 -0.276578D+01 -0.443110D+01 -0.238008D+01
      2  -0.363668D-01 -0.276578D+01  0.192091D+01  0.115082D+01  0.131038D+01
      3   0.154343D+01 -0.443110D+01  0.115082D+01  0.192640D+00 -0.266586D-01
                11            12            13            14            15 
      1   0.131038D+01 -0.266586D-01  0.597953D+00 -0.220602D+01  0.135804D+01
      2  -0.135941D+01  0.326078D+01 -0.220602D+01  0.582043D+01  0.633669D+00
      3   0.326078D+01 -0.290647D+01  0.135804D+01  0.633669D+00  0.691939D+00
                16            17            18            19            20 
      1  -0.431632D+00  0.514206D+01 -0.233241D+01 -0.826277D-01 -0.104293D+01
      2   0.514206D+01  0.569355D+00  0.108128D+01 -0.104293D+01 -0.100214D+01
      3  -0.233241D+01  0.108128D+01  0.821322D-02  0.609107D+00  0.129090D+01
                21            22            23            24            25 
      1   0.609107D+00 -0.141826D+01  0.446612D+00  0.109961D+01  0.102325D+01
      2   0.129090D+01  0.446612D+00  0.102407D+02 -0.280834D+00  0.950422D+00
      3   0.164083D+01  0.109961D+01 -0.280834D+00  0.252198D+01  0.319635D+01
                26            27            28            29            30 
      1   0.950422D+00  0.319635D+01 -0.525347D+01 -0.283081D+01 -0.427380D+00
      2  -0.932654D+00  0.512823D+01 -0.283081D+01 -0.362595D+01 -0.877271D+00
      3   0.512823D+01  0.377694D+01 -0.427380D+00 -0.877271D+00 -0.120785D+01
                31            32            33            34            35 
      1  -0.427694D+01 -0.651290D+01 -0.217584D+01 -0.111297D+01 -0.166597D+01
      2  -0.651290D+01 -0.185933D+02 -0.790177D+00 -0.166597D+01 -0.181817D+01
      3  -0.217584D+01 -0.790177D+00 -0.390492D+01 -0.263006D+01 -0.301365D+01
                36            37            38            39            40 
      1  -0.263006D+01  0.350004D+01  0.914155D+00  0.916585D+00 -0.169303D+00
      2  -0.301365D+01  0.914155D+00  0.436991D+01  0.273731D+01  0.658851D+01
      3  -0.163459D+01  0.916585D+00  0.273731D+01  0.203097D+01  0.223024D+01
                41            42            43            44            45 
      1   0.658851D+01  0.223024D+01  0.140946D+01  0.253657D+01  0.441726D+01
      2   0.554409D+01 -0.307974D+01  0.253657D+01 -0.331316D+01  0.443298D+01
      3  -0.307974D+01  0.256622D+01  0.441726D+01  0.443298D+01  0.130667D+01
                46            47            48            49            50 
      1   0.557129D+01  0.203112D+01 -0.517931D+00  0.421472D+01  0.741095D+01
      2   0.203112D+01  0.699592D+01  0.270336D+01  0.741095D+01  0.153269D+02
      3  -0.517931D+00  0.270336D+01  0.158423D+01  0.264979D+01 -0.722602D+00
                51            52            53            54            55 
      1   0.264979D+01  0.190701D+00  0.335306D+01  0.185573D+01 -0.150821D+01
      2  -0.722602D+00  0.335306D+01 -0.982989D+00  0.345056D+01 -0.171678D+01
      3   0.307817D+01  0.185573D+01  0.345056D+01  0.196588D+01 -0.574742D+00
                56            57            58            59            60 
      1  -0.171678D+01 -0.574742D+00 -0.174036D+01 -0.394032D+01 -0.165367D+01
      2  -0.371897D+01 -0.236020D+01 -0.394032D+01 -0.942615D+01  0.114916D+01
      3  -0.236020D+01 -0.797219D+00 -0.165367D+01  0.114916D+01 -0.283841D+01
                61            62            63            64            65 
      1  -0.591617D+00 -0.223913D+01 -0.124378D+01  0.314227D+01  0.113646D+00
      2  -0.223913D+01  0.118678D+01 -0.603070D+01  0.113646D+00  0.149062D+01
      3  -0.124378D+01 -0.603070D+01 -0.181641D+01  0.422262D+01 -0.740098D+00
                66            67            68            69            70 
      1   0.422262D+01  0.143862D+00  0.557291D+01 -0.917116D-01  0.731927D+01
      2  -0.740098D+00  0.557291D+01 -0.439299D+01  0.264763D+01 -0.813188D+00
      3   0.455286D+01 -0.917116D-01  0.264763D+01  0.173195D+00  0.509413D+01
                71            72            73            74            75 
      1  -0.813188D+00  0.509413D+01  0.184330D+01 -0.135861D+01 -0.150545D+01
      2   0.227023D+01  0.139666D+00 -0.135861D+01  0.912230D+00  0.993465D+00
      3   0.139666D+00 -0.312526D+00 -0.150545D+01  0.993465D+00  0.270087D+01
                76            77            78            79            80 
      1  -0.127775D+01  0.524106D+00  0.565399D+00 -0.193870D+01  0.103572D+01
      2   0.524106D+00 -0.164773D+01 -0.208539D+01  0.103572D+01 -0.222212D+01
      3   0.565399D+00 -0.208539D+01 -0.285914D+01  0.216201D+01 -0.293829D+01
                81            82            83            84            85 
      1   0.216201D+01  0.367983D+01  0.185177D+01 -0.188770D+01  0.162726D+01
      2  -0.293829D+01  0.185177D+01  0.193588D+01 -0.187055D+01  0.132501D+01
      3  -0.637116D+01 -0.188770D+01 -0.187055D+01  0.252597D+01 -0.136770D+01
                86            87            88            89            90 
      1   0.132501D+01 -0.136770D+01 -0.255228D+01 -0.185744D+01  0.225117D+01
      2   0.331298D+01 -0.208856D+01 -0.185744D+01 -0.222811D+01  0.217444D+01
      3  -0.208856D+01  0.179294D+01  0.225117D+01  0.217444D+01 -0.333845D+01
                91            92            93            94            95 
      1  -0.473966D+01 -0.201244D+01 -0.224243D+01 -0.273650D+01 -0.306309D+01
      2  -0.201244D+01 -0.145982D+01 -0.121670D+01 -0.306309D+01 -0.315173D+01
      3  -0.224243D+01 -0.121670D+01 -0.183764D+01 -0.119481D+01 -0.116704D+01
                96            97            98            99           100 
      1  -0.119481D+01 -0.544365D+01 -0.295800D+01 -0.351000D+01 -0.601215D+01
      2  -0.116704D+01 -0.295800D+01 -0.231149D+01 -0.284841D+01  0.191381D+01
      3  -0.171584D+01 -0.351000D+01 -0.284841D+01 -0.448343D+01  0.156909D+01
               101           102           103           104           105 
      1   0.191381D+01  0.156909D+01  0.503270D+01 -0.209530D+01 -0.148884D+01
      2  -0.132420D+01 -0.682594D+00 -0.209530D+01  0.194663D+01  0.973492D+00
      3  -0.682594D+00 -0.132677D+01 -0.148884D+01  0.973492D+00  0.105787D+01
               106           107           108           109           110 
      1   0.249934D+01 -0.858155D+00 -0.202360D+01 -0.532678D+00 -0.823214D+00
      2  -0.858155D+00  0.913597D+00  0.434520D+00 -0.823214D+00  0.996612D-01
      3  -0.202360D+01  0.434520D+00  0.140912D+01  0.458433D+00 -0.294233D+00
               111           112           113           114           115 
      1   0.458433D+00 -0.322215D+01 -0.328055D+01  0.928844D+00  0.191605D+01
      2  -0.294233D+00 -0.328055D+01 -0.708752D+01  0.329921D+01  0.121945D+01
      3  -0.218225D+00  0.928844D+00  0.329921D+01 -0.255142D+01 -0.192192D+01
               116           117           118           119           120 
      1   0.121945D+01 -0.192192D+01  0.181016D+01  0.142052D+01  0.130108D+01
      2   0.389698D+01 -0.343708D+01  0.142052D+01  0.195203D+01  0.137230D+01
      3  -0.343708D+01  0.300368D+01  0.130108D+01  0.137230D+01  0.115040D+01
               121           122           123           124           125 
      1   0.146466D+01  0.190385D+01  0.709573D+00  0.272380D+01  0.160712D+01
      2   0.190385D+01  0.618649D+01  0.232191D+01  0.160712D+01  0.496870D+01
      3   0.709573D+00  0.232191D+01  0.195620D+01  0.140247D+01  0.443193D+01
               126           127           128           129           130 
      1   0.140247D+01 -0.331133D+00  0.115828D+01 -0.681683D+00  0.190300D+01
      2   0.443193D+01  0.115828D+01 -0.951240D+00  0.653097D+00  0.813257D+00
      3   0.442986D+01 -0.681683D+00  0.653097D+00 -0.109647D+00  0.121383D+00
               131           132           133           134           135 
      1   0.813257D+00  0.121383D+00 -0.150183D+01  0.246937D+00  0.300516D+00
      2   0.107845D+02 -0.350571D+01  0.246937D+00 -0.535699D+01  0.392193D+01
      3  -0.350571D+01  0.208063D+01  0.300516D+00  0.392193D+01 -0.234921D+01
               136           137           138           139           140 
      1   0.569260D+01 -0.198083D+01 -0.255795D+01 -0.240372D+01 -0.305825D+01
      2  -0.198083D+01 -0.183833D+01 -0.751294D+00 -0.305825D+01  0.485301D+01
      3  -0.255795D+01 -0.751294D+00 -0.309574D+01 -0.803444D+00 -0.495553D+01
               141           142           143           144           145 
      1  -0.803444D+00 -0.312985D+01 -0.402594D+00 -0.360094D+01 -0.684697D+00
      2  -0.495553D+01 -0.402594D+00 -0.342327D+01 -0.126502D+01 -0.165922D+01
      3  -0.175447D+01 -0.360094D+01 -0.126502D+01 -0.344491D-01 -0.301193D+01
               146           147           148           149           150 
      1  -0.165922D+01 -0.301193D+01 -0.204958D+01 -0.595609D+01 -0.664270D+00
      2  -0.331448D+01 -0.437768D+00 -0.595609D+01  0.543470D+01 -0.239877D+01
      3  -0.437768D+00 -0.248074D+01 -0.664270D+00 -0.239877D+01 -0.176734D+01
               151           152           153           154           155 
      1  -0.359510D+01 -0.654680D+00 -0.393227D+01 -0.757375D+01  0.110401D+01
      2  -0.654680D+00 -0.280235D+01 -0.162535D+01  0.110401D+01 -0.694821D+00
      3  -0.393227D+01 -0.162535D+01  0.516089D+01  0.795235D+00  0.388989D+00
               156           157           158           159           160 
      1   0.795235D+00  0.147540D+01 -0.333673D+00  0.230346D+00  0.945013D+00
      2   0.388989D+00 -0.333673D+00 -0.241375D+00  0.629952D+00  0.132179D+00
      3  -0.237236D+01  0.230346D+00  0.629952D+00  0.693049D+00 -0.112255D+01
               161           162           163           164           165 
      1   0.132179D+00 -0.112255D+01  0.254246D+01  0.128776D+01  0.267291D+01
      2   0.591388D+00  0.329572D+00  0.128776D+01  0.122150D+01  0.103243D+01
      3   0.329572D+00  0.100159D+01  0.267291D+01  0.103243D+01  0.359181D+01
               166           167           168           169           170 
      1   0.203065D+01  0.153570D+01  0.170580D+01  0.186248D+01  0.824084D+00
      2   0.153570D+01  0.148029D+01  0.239680D+01  0.824084D+00  0.144870D+01
      3   0.170580D+01  0.239680D+01  0.369511D+01  0.261282D+01  0.179567D+01
               171           172           173           174           175 
      1   0.261282D+01  0.649123D+00 -0.112845D+01  0.112552D+01 -0.141437D+01
      2   0.179567D+01 -0.112845D+01  0.133432D+01 -0.559236D+00  0.196762D+01
      3   0.528132D+01  0.112552D+01 -0.559236D+00  0.122572D+01 -0.915132D+00
               176           177           178           179           180 
      1   0.196762D+01 -0.915132D+00  0.533299D+00 -0.333969D+00  0.913135D+00
      2  -0.686367D+01  0.394842D+01 -0.333969D+00  0.187392D+01 -0.172265D+01
      3   0.394842D+01 -0.336881D+01  0.913135D+00 -0.172265D+01  0.218606D+01
               181           182           183           184           185 
      1   0.141217D+01  0.348276D+00 -0.139189D+01  0.830448D+00  0.974855D+00
      2   0.348276D+00  0.481122D+00  0.304403D-02  0.974855D+00 -0.195243D+00
      3  -0.139189D+01  0.304403D-02  0.153514D+01 -0.227709D+00 -0.594997D+00
               186           187           188           189           190 
      1  -0.227709D+00 -0.328357D+01  0.103359D+00  0.322109D+01  0.251791D+01
      2  -0.594997D+00  0.103359D+00 -0.821162D+00  0.507778D+00 -0.175131D+01
      3   0.876534D+00  0.322109D+01  0.507778D+00 -0.696242D+01  0.618167D+00
               191           192           193           194           195 
      1  -0.175131D+01  0.618167D+00 -0.452515D+01  0.470523D+01 -0.442209D+00
      2   0.177446D+01 -0.255743D+00  0.470523D+01 -0.773787D+01  0.129221D+01
      3  -0.255743D+00  0.409136D+00 -0.442209D+00  0.129221D+01 -0.114550D+01
               196           197           198           199           200 
      1   0.164975D+01 -0.757275D+00  0.125073D+01  0.649373D+01  0.197447D+01
      2  -0.757275D+00  0.148507D+01 -0.100357D+01  0.197447D+01  0.156023D+01
      3   0.125073D+01 -0.100357D+01  0.397187D+00  0.216161D+01  0.809680D+00
               201           202           203           204           205 
      1   0.216161D+01  0.488267D+01  0.287180D+01  0.141679D+01  0.458729D+01
      2   0.809680D+00  0.287180D+01  0.179929D+01  0.139050D+01  0.111512D+01
      3   0.152762D+01  0.141679D+01  0.139050D+01  0.160037D+01  0.261224D+01
               206           207           208           209           210 
      1   0.111512D+01  0.261224D+01  0.103861D+00 -0.976386D+00  0.413778D+00
      2   0.148399D+01  0.113982D+01 -0.976386D+00 -0.231390D-01 -0.398073D+00
      3   0.113982D+01  0.187598D+01  0.413778D+00 -0.398073D+00 -0.204894D+00
               211           212           213           214           215 
      1  -0.168631D+01 -0.541978D+00  0.117896D+00  0.157893D+01  0.205278D+00
      2  -0.541978D+00 -0.959598D+01  0.160803D+01  0.205278D+00  0.436120D+01
      3   0.117896D+00  0.160803D+01 -0.129630D+01 -0.594610D+00 -0.258256D+01
               216           217           218           219           220 
      1  -0.594610D+00 -0.187787D+01 -0.100150D+01 -0.186586D+01 -0.628254D+00
      2  -0.258256D+01 -0.100150D+01 -0.176893D+01 -0.181995D+01 -0.102066D+01
      3   0.895795D+00 -0.186586D+01 -0.181995D+01 -0.208969D+01 -0.830058D+00
               221           222           223           224           225 
      1  -0.102066D+01 -0.830058D+00 -0.271552D+01 -0.138153D+01 -0.228184D+01
      2  -0.395256D+01 -0.236592D+01 -0.138153D+01 -0.308708D+01 -0.444077D+01
      3  -0.236592D+01 -0.230066D+01 -0.228184D+01 -0.444077D+01 -0.667098D+01
               226           227           228           229           230 
      1  -0.506209D+01  0.354495D+01  0.183133D+01  0.320359D+01 -0.247430D+01
      2   0.354495D+01 -0.256099D+01 -0.158741D+01 -0.247430D+01  0.489338D+01
      3   0.183133D+01 -0.158741D+01 -0.123666D+01 -0.114668D+01  0.178065D+01
               231           232           233           234 
      1  -0.114668D+01  0.224278D+01 -0.178365D+01 -0.166456D+01
      2   0.178065D+01 -0.178365D+01  0.232871D+01  0.788843D+00
      3   0.117519D+01 -0.166456D+01  0.788843D+00  0.108181D+01
 Property number 2 -- FD Optical Rotation Tensor derivatives, frequency  1    0.085645:
                 1             2             3             4             5 
      1  -0.113362D+01  0.662539D+00 -0.149434D+01  0.116864D+01  0.112530D+02
      2  -0.349538D+01 -0.481054D+00 -0.411397D+01 -0.100565D+01 -0.441523D+01
      3   0.129387D+01 -0.303031D+01  0.249951D+01  0.756437D+01  0.917152D+01
                 6             7             8             9            10 
      1  -0.107326D+01  0.129521D+01  0.174087D+01  0.266090D+00 -0.112289D+01
      2  -0.368601D-01 -0.142900D+02 -0.349448D+01 -0.622720D+01 -0.163732D+01
      3   0.353230D+01  0.790773D+01 -0.263255D+00  0.423637D+01 -0.215905D+01
                11            12            13            14            15 
      1  -0.423238D+01 -0.340843D+00 -0.219243D+01 -0.104018D+02 -0.477719D+01
      2   0.469946D+01 -0.151685D+01  0.305109D+01  0.499448D+00  0.210056D+01
      3  -0.448618D+01 -0.412865D+01  0.946781D+01 -0.135944D+02  0.243842D+01
                16            17            18            19            20 
      1  -0.450586D+01  0.116569D+01 -0.240578D+01  0.139990D+01  0.423714D+01
      2  -0.654108D+01  0.711624D+01 -0.796326D+00 -0.284127D+01 -0.876471D+00
      3  -0.842043D+01  0.421424D+01 -0.543804D+01 -0.127649D+01 -0.419342D+01
                21            22            23            24            25 
      1   0.215929D+01  0.218360D+01 -0.109539D+02  0.489159D+01  0.463701D+01
      2   0.189411D+00 -0.178470D+01 -0.684864D+00 -0.372997D+01 -0.622681D+01
      3   0.478545D+00  0.467517D+01  0.151224D+02 -0.108619D+01  0.197015D+01
                26            27            28            29            30 
      1   0.189002D+02  0.418544D+01 -0.656518D-01 -0.696362D+00  0.121139D+00
      2  -0.533511D+01 -0.200277D+01 -0.119236D+01  0.607025D+01  0.338153D+01
      3  -0.368687D+01  0.317187D+01 -0.121342D+02 -0.208936D+02 -0.500462D+01
                31            32            33            34            35 
      1  -0.245995D+00 -0.362865D+01 -0.415969D+00  0.130728D+01  0.112879D+02
      2   0.794936D+01  0.368997D+01  0.104608D+02 -0.364457D+01  0.712458D+01
      3  -0.162827D+02 -0.455765D+02 -0.259776D+01 -0.787114D+01 -0.471320D+01
                36            37            38            39            40 
      1   0.232485D+01  0.208290D+01  0.504441D+01  0.437734D+01  0.381956D+01
      2   0.553313D+01 -0.515484D+01 -0.119918D+02 -0.558660D+01 -0.827845D+01
      3  -0.794441D+01 -0.252040D+01  0.130918D+02  0.940742D+01  0.283033D+02
                41            42            43            44            45 
      1  -0.321724D+01  0.203489D+01  0.978163D+01  0.996240D+01  0.256105D+01
      2   0.105415D+02 -0.100961D+02 -0.218855D+02 -0.208511D+02 -0.601143D+01
      3   0.164202D+02 -0.141340D+02  0.658463D+01 -0.167945D+02  0.127077D+02
                46            47            48            49            50 
      1  -0.489910D+00 -0.232673D+01 -0.157947D+01 -0.112507D+01  0.534339D+01
      2  -0.228379D+01 -0.441473D+01 -0.311247D+01 -0.317350D+01 -0.115129D+01
      3   0.502868D+01  0.872351D+01  0.454282D+01  0.209098D+02  0.488740D+02
                51            52            53            54            55 
      1  -0.343192D+01  0.670455D-01  0.121154D+01 -0.106233D+01  0.185466D+01
      2  -0.838798D+01 -0.139410D+02 -0.109383D+02 -0.447874D+01 -0.256582D+01
      3   0.293983D+01  0.684760D+01  0.337866D+01  0.100382D+02 -0.451335D+01
                56            57            58            59            60 
      1   0.671400D+01  0.237499D+01  0.352860D+01 -0.527477D+01  0.667316D+01
      2   0.533339D+00  0.952477D+00  0.673784D+00  0.815359D+00  0.166171D+00
      3  -0.102582D+02 -0.329696D+01 -0.332102D+01 -0.143776D+02 -0.282883D+01
                61            62            63            64            65 
      1   0.658189D+01  0.239411D+02  0.678198D+01  0.240196D+01  0.339849D+01
      2  -0.336751D+01 -0.259611D+01  0.699042D+00  0.149772D+02 -0.321839D+01
      3  -0.608759D+01 -0.607067D+01 -0.541661D+01 -0.614198D+00 -0.985329D+01
                66            67            68            69            70 
      1   0.216597D+01 -0.415596D+01  0.795977D+00 -0.490279D+01  0.683218D+00
      2   0.153231D+02 -0.571576D-01  0.738656D+01  0.134679D+01  0.447285D+01
      3   0.628132D+00 -0.874486D+01  0.897382D+01 -0.584044D+01 -0.832588D+00
                71            72            73            74            75 
      1   0.685888D+01 -0.234390D+00  0.545852D+00 -0.739502D+00  0.132256D+01
      2   0.111458D+01 -0.252880D+01  0.272123D+01 -0.102724D+01  0.151989D+01
      3  -0.629764D+01 -0.234741D+01 -0.389633D+00 -0.139991D+01  0.249380D+00
                76            77            78            79            80 
      1  -0.780506D-01  0.120224D+01 -0.835217D+00  0.701789D+00  0.359109D+01
      2  -0.194766D+01 -0.123134D+01 -0.205242D+01 -0.417666D+01 -0.596721D+00
      3   0.316917D+01  0.548582D+00  0.136244D+01  0.214290D+01  0.231231D+01
                81            82            83            84            85 
      1  -0.154977D+01  0.108189D+01 -0.246954D+00 -0.201218D+01  0.393243D+00
      2  -0.161350D+01  0.226046D+01 -0.754801D+00  0.298331D+01 -0.155825D-01
      3   0.637587D+00  0.348583D+01 -0.218548D+01 -0.645455D-01  0.335850D+01
                86            87            88            89            90 
      1  -0.157054D+01 -0.178317D+01 -0.151671D+01  0.166244D+01  0.291171D+01
      2  -0.112111D+01  0.117952D+01 -0.240478D+01 -0.438921D-01 -0.206715D+01
      3  -0.263468D+01  0.853531D+00 -0.191299D+01  0.170612D+01  0.102025D+01
                91            92            93            94            95 
      1  -0.365198D+01 -0.158895D+01 -0.287551D+01 -0.239690D+01 -0.123894D+01
      2   0.813630D+01  0.482654D+01  0.850092D+01  0.460749D+01  0.451536D+01
      3  -0.282125D+01 -0.580538D+01 -0.272641D+01 -0.687728D+01 -0.925851D+01
                96            97            98            99           100 
      1  -0.326455D+01 -0.558952D+01 -0.289943D+01 -0.596938D+01  0.231784D+01
      2   0.713247D+01  0.113052D+02  0.108364D+02  0.175761D+02 -0.417069D+01
      3  -0.286773D+01 -0.406053D+01 -0.632248D+01 -0.706289D+01  0.116456D+02
               101           102           103           104           105 
      1  -0.179605D+01 -0.987834D+00 -0.175043D+01  0.239823D+01 -0.270051D+00
      2   0.219942D+01  0.641635D+01  0.371265D+01 -0.323156D+01 -0.468159D+01
      3  -0.857283D+01 -0.424349D+01 -0.865521D+01  0.104591D+02  0.470858D+01
               106           107           108           109           110 
      1  -0.195821D+01  0.163434D+01  0.756168D+00 -0.349858D+00 -0.100314D+01
      2   0.485484D+01 -0.137161D+01 -0.495355D+01 -0.160179D+01  0.188446D+01
      3  -0.498979D+01  0.534817D+01  0.277980D+01 -0.291050D+01 -0.539571D+00
               111           112           113           114           115 
      1  -0.266486D+00  0.127493D+01  0.122475D+01 -0.419059D+01 -0.280388D+01
      2   0.116933D+01 -0.178077D+01 -0.112560D+02  0.961793D+01  0.428582D+01
      3  -0.129504D+01 -0.690143D+01 -0.235796D+02  0.112768D+02  0.211912D+01
               116           117           118           119           120 
      1  -0.190927D+01  0.335125D+01 -0.450426D+01 -0.356951D+01 -0.401665D+01
      2   0.117859D+02 -0.104136D+02 -0.123188D+01 -0.104274D+01  0.915038D+00
      3   0.146107D+02 -0.108079D+02  0.616794D+01  0.217060D+01  0.375458D+01
               121           122           123           124           125 
      1  -0.125184D+01 -0.538717D+01 -0.654194D+01 -0.398406D+01 -0.101245D+02
      2  -0.475434D+00 -0.935728D+00  0.176395D+00 -0.186157D+01 -0.397878D+00
      3   0.653893D+01  0.701385D+01  0.234908D+01  0.103821D+02  0.535145D+01
               126           127           128           129           130 
      1  -0.132943D+02  0.150130D+01 -0.209140D+01  0.138280D+00  0.575365D+00
      2  -0.878629D+00  0.857152D+00  0.100804D+01  0.107938D+01  0.260193D-01
      3   0.449997D+01 -0.863401D+00  0.949841D+00 -0.132414D+01  0.835592D+01
               131           132           133           134           135 
      1   0.727718D+01 -0.712709D+01 -0.265141D+01 -0.777724D+01  0.619133D+01
      2  -0.104561D+01 -0.511493D-01 -0.172444D+01  0.334000D+00 -0.185040D-01
      3   0.572432D+01 -0.458006D+00 -0.461976D+01 -0.352764D+00  0.233233D+01
               136           137           138           139           140 
      1  -0.754494D+01 -0.460965D+01 -0.334927D+01 -0.758683D+01  0.837878D+01
      2  -0.194424D+02  0.319536D+01  0.485528D+01  0.412078D+01 -0.304594D+01
      3   0.853178D-01  0.187436D+01  0.289009D+01  0.905481D+01 -0.680561D+01
               141           142           143           144           145 
      1  -0.155025D+02 -0.284043D+01 -0.776160D+01 -0.379195D+01 -0.168611D+01
      2  -0.685411D+00  0.870175D+00 -0.103378D+01  0.592627D+01 -0.108263D+02
      3   0.869516D+01  0.254361D+01  0.585047D+01  0.389529D+01  0.779717D+01
               146           147           148           149           150 
      1  -0.413282D+00 -0.203338D+01  0.148595D+00 -0.216237D+01 -0.214838D+01
      2  -0.189011D+01 -0.103224D+02 -0.261852D+01 -0.103949D+02 -0.639163D+01
      3   0.137173D+02  0.325025D+01  0.277808D+02 -0.176186D+02  0.952206D+01
               151           152           153           154           155 
      1  -0.306312D+01  0.138214D+01  0.337831D+01  0.471096D+01 -0.282990D+01
      2  -0.202051D+02 -0.525496D+01  0.183072D+02  0.240767D+02 -0.335858D+01
      3   0.397205D+01  0.986802D+01  0.798587D+01  0.315146D+01 -0.129709D+01
               156           157           158           159           160 
      1   0.594114D-01 -0.214812D+01  0.475125D+00  0.132574D+00 -0.622280D+00
      2  -0.932705D+00 -0.449412D+01  0.138514D+01 -0.219798D+00 -0.461203D+01
      3  -0.357409D+00  0.187406D+01  0.375212D-01 -0.480338D+00 -0.240323D+00
               161           162           163           164           165 
      1   0.145123D+01  0.664771D+00  0.400805D+01  0.492376D+01  0.317668D+01
      2   0.263710D+00  0.224218D+01 -0.113866D+01 -0.903595D+00  0.277262D+01
      3   0.470361D+00  0.169691D+00 -0.220173D+01 -0.392422D+01 -0.254778D+01
               166           167           168           169           170 
      1   0.401741D+01  0.564272D+01  0.526946D+01  0.321995D+01  0.629792D+01
      2  -0.287452D+01  0.102756D+01  0.312941D+01 -0.291331D+01  0.664067D+00
      3  -0.141595D+01 -0.353007D+01 -0.421548D+01 -0.144606D+01 -0.348303D+01
               171           172           173           174           175 
      1   0.605421D+01 -0.946199D+00  0.282290D+01  0.565796D+00  0.346236D+01
      2   0.341142D+01  0.760542D+00  0.448549D+00  0.103161D+01  0.292963D+01
      3  -0.367785D+01  0.924641D+00 -0.251471D+01  0.529724D+00  0.112922D+01
               176           177           178           179           180 
      1  -0.136143D+02  0.299231D+01 -0.451240D+00  0.481380D+01 -0.188815D+01
      2   0.323485D+01 -0.443133D+01 -0.152064D+01 -0.140155D+01  0.191979D+01
      3   0.102197D+02 -0.566422D+01 -0.650657D+00 -0.281345D+01  0.212227D+01
               181           182           183           184           185 
      1  -0.907546D+00 -0.589471D+00  0.831992D+00 -0.138731D+00 -0.442576D+00
      2  -0.452962D+01  0.143803D+00  0.637727D+01  0.612907D-01 -0.122722D+01
      3  -0.175341D+01 -0.238122D+01  0.848551D+00 -0.232278D+01 -0.218127D-01
               186           187           188           189           190 
      1  -0.248949D+00  0.145310D+01  0.327514D+01 -0.368079D+01  0.468458D+00
      2   0.324580D+01  0.637405D+01  0.216364D+01 -0.244308D+02  0.226575D+01
      3   0.196312D+01  0.985615D+00  0.402090D+01 -0.336112D+01  0.484135D+01
               191           192           193           194           195 
      1  -0.296735D+00  0.969737D+00 -0.266427D+00  0.123410D+01 -0.382518D+01
      2  -0.126194D+01  0.312316D+01 -0.180001D+01  0.531986D+01 -0.546756D+01
      3  -0.738853D+01  0.685213D+00 -0.109868D+02  0.265352D+02 -0.462320D+01
               196           197           198           199           200 
      1   0.657059D+00  0.196190D+00  0.715586D+00  0.132549D+01  0.921177D+00
      2   0.295398D+01 -0.296471D+01  0.147249D+01  0.802852D+01  0.330532D+01
      3   0.967736D+00 -0.533791D+01  0.251208D+01 -0.103765D+02 -0.890878D+01
               201           202           203           204           205 
      1   0.130817D+00  0.938482D+00  0.118960D+01 -0.803699D+00  0.127863D+01
      2   0.833593D+01  0.501810D+01  0.533814D+01  0.731882D+01  0.742848D+01
      3  -0.423474D+01 -0.105516D+02 -0.891877D+01 -0.583402D+01 -0.566081D+01
               206           207           208           209           210 
      1   0.174617D+01  0.144071D+00  0.246455D+01 -0.105099D+01  0.264294D+00
      2   0.424468D+01  0.756753D+01 -0.748526D+00  0.554301D+00  0.163154D+01
      3  -0.740013D+01 -0.540603D+01 -0.187840D+01  0.155974D+00 -0.150274D+01
               211           212           213           214           215 
      1   0.812125D+00  0.112683D+02 -0.651987D+01 -0.117795D+01 -0.809372D+01
      2  -0.152239D+01 -0.278321D+01  0.162366D+01  0.894863D+00  0.325108D+01
      3   0.596630D+01 -0.118218D+02  0.128921D+01 -0.494144D+01  0.600329D+01
               216           217           218           219           220 
      1   0.522279D+01 -0.228674D+01 -0.196844D+01 -0.295227D+01 -0.301204D+00
      2  -0.199738D+01 -0.187267D+00  0.106426D+01  0.196600D+01 -0.576303D+00
      3  -0.240273D+01  0.285165D+01 -0.299549D+01 -0.840582D-01  0.227799D+01
               221           222           223           224           225 
      1   0.408117D+00 -0.303303D+01 -0.148667D+01 -0.347937D+01 -0.824397D+01
      2   0.176184D+01  0.192604D+01 -0.357078D+01  0.362457D+01  0.538562D+01
      3  -0.427376D+01 -0.122587D+01  0.390680D+01 -0.200811D+01 -0.232705D+01
               226           227           228           229           230 
      1  -0.147411D+01  0.132503D+01  0.324994D+01  0.112944D+01 -0.144877D+01
      2  -0.850300D+00  0.253782D+01  0.443333D+01  0.254584D+00 -0.299165D+01
      3  -0.309499D+01 -0.136001D+01 -0.199477D+00  0.298138D+01  0.514950D+01
               231           232           233           234 
      1  -0.267104D+01  0.322159D+01  0.223102D+01 -0.214294D+01
      2  -0.319258D+01  0.209777D+01  0.151889D+01 -0.181048D+01
      3   0.111375D+01  0.140402D+01  0.240927D+01 -0.191725D+01
 Property number 4 -- D-Q polarizability derivatives, frequency  1    0.085645:
                 1             2             3             4             5 
      1  -0.131516D+02 -0.540070D+01 -0.946125D+01 -0.768414D+01 -0.242672D+01
      2   0.967521D+01  0.195862D+01  0.135619D+01  0.218089D+01  0.782173D+01
      3   0.347640D+01  0.344208D+01  0.810506D+01  0.550325D+01 -0.539501D+01
      4   0.944057D+00 -0.690235D+00 -0.329150D+01 -0.199640D+01 -0.319912D+01
      5  -0.517338D+00 -0.549462D+01 -0.107771D+02  0.100174D+01  0.413041D+00
      6  -0.294684D+01  0.296217D+00  0.433577D+01  0.298558D+01  0.295836D+01
                 6             7             8             9            10 
      1   0.684593D+01 -0.223445D+02 -0.198879D+01 -0.259525D+01 -0.607772D+01
      2  -0.216842D+01  0.779816D+01  0.344541D+01  0.660186D+01  0.612518D+01
      3  -0.467751D+01  0.145463D+02 -0.145662D+01 -0.400661D+01 -0.474596D-01
      4   0.973827D-01 -0.770206D+01  0.717743D+01  0.813684D+01 -0.823705D+00
      5   0.537704D+01 -0.875785D+01  0.688291D+01  0.867697D+01  0.466524D+01
      6  -0.473411D+01  0.805139D+01 -0.369986D+01 -0.751242D+01  0.579819D+01
                11            12            13            14            15 
      1   0.672650D+01 -0.368150D+01  0.888039D+01 -0.111768D+02 -0.627261D+00
      2   0.231219D+00  0.275783D+01 -0.277529D+01  0.121605D+02  0.271777D+01
      3  -0.695772D+01  0.923671D+00 -0.610511D+01 -0.983680D+00 -0.209051D+01
      4  -0.625077D+01  0.108666D+02 -0.126270D+02  0.799099D+01  0.671509D+01
      5   0.898531D+01 -0.907750D+01  0.274590D+01  0.358995D+01 -0.346147D+01
      6   0.139590D+01 -0.584211D+01  0.638737D+01  0.325592D+01 -0.157535D+01
                16            17            18            19            20 
      1  -0.566992D+01  0.129547D+02 -0.636053D+01  0.720450D+00  0.874847D+01
      2   0.277488D+01 -0.686026D+01  0.692729D+01  0.180792D+01 -0.201160D+01
      3   0.289504D+01 -0.609439D+01 -0.566756D+00 -0.252837D+01 -0.673687D+01
      4   0.188233D+02  0.418718D+01 -0.278930D+01  0.387686D+01  0.128526D+00
      5  -0.839282D+01 -0.387183D+01  0.494377D+01 -0.380896D+01 -0.345919D+01
      6  -0.657654D+01 -0.942842D+00  0.438552D+01 -0.711971D+00 -0.520759D+01
                21            22            23            24            25 
      1   0.563199D+01  0.153529D+02  0.224232D+02 -0.446025D+01  0.774826D+01
      2  -0.127647D+01 -0.868057D+01 -0.275621D+02  0.114200D+02 -0.316820D+00
      3  -0.435552D+01 -0.667228D+01  0.513884D+01 -0.695973D+01 -0.743144D+01
      4  -0.577895D+01 -0.113128D+01 -0.186674D+02 -0.566533D+01 -0.601445D+01
      5  -0.825369D+01 -0.553263D+01 -0.536336D+01 -0.985939D+01 -0.998893D+01
      6  -0.701831D+01 -0.398685D+01  0.163734D+01 -0.104396D+02 -0.103089D+02
                26            27            28            29            30 
      1  -0.377841D+01  0.926998D+01  0.192267D+02  0.122068D+02  0.212767D+01
      2   0.219594D+02 -0.140846D+01 -0.143693D+02 -0.661021D+01 -0.245155D+01
      3  -0.181810D+02 -0.786153D+01 -0.485740D+01 -0.559655D+01  0.323878D+00
      4  -0.711732D+01 -0.170448D+02  0.363660D+01  0.216567D+02  0.660170D+01
      5  -0.158706D+02 -0.149612D+02  0.489227D+01  0.486503D+01  0.674645D+01
      6  -0.226980D+02 -0.174876D+02  0.141957D+01 -0.757264D+00 -0.212698D+01
                31            32            33            34            35 
      1   0.145262D+02  0.302894D+02  0.929358D+01  0.865417D+01  0.839510D+01
      2  -0.104071D+02 -0.211390D+02 -0.352723D+01 -0.786852D+01 -0.649951D+01
      3  -0.411911D+01 -0.915044D+01 -0.576635D+01 -0.785647D+00 -0.189559D+01
      4   0.253387D+02  0.550288D+02  0.130182D+01  0.691831D+01  0.418327D+01
      5   0.752252D+01 -0.405839D+00  0.131043D+02  0.167454D+02  0.101183D+02
      6  -0.147263D+01  0.466062D+01  0.302006D+01 -0.109982D+00  0.955492D+01
                36            37            38            39            40 
      1   0.741608D+01 -0.213543D+02  0.249161D+01 -0.377138D+01  0.112560D+02
      2  -0.126988D+02  0.161876D+02 -0.275070D+01  0.495418D+00 -0.782218D+01
      3   0.528270D+01  0.516665D+01  0.259094D+00  0.327597D+01 -0.343385D+01
      4   0.743845D+01  0.418736D+01 -0.235934D+02 -0.200481D+02 -0.379644D+02
      5   0.897844D+01 -0.690439D+01 -0.213928D+02 -0.169506D+02 -0.191060D+02
      6  -0.109893D+01 -0.866988D+01 -0.475529D+01 -0.485455D+01  0.261125D+01
                41            42            43            44            45 
      1  -0.253854D+02 -0.244343D+02 -0.114966D+02 -0.300434D+02 -0.196712D+02
      2   0.115927D+02  0.166440D+02  0.567564D+01  0.215726D+02  0.821162D+01
      3   0.137927D+02  0.779030D+01  0.582098D+01  0.847077D+01  0.114596D+02
      4  -0.285822D+02  0.160912D+02 -0.224147D+02  0.148748D+02 -0.279675D+02
      5   0.204553D+02 -0.193278D+02 -0.362956D+02 -0.327337D+02 -0.106079D+02
      6   0.120076D+02 -0.142978D+02 -0.127442D+02 -0.214060D+02 -0.944928D+00
                46            47            48            49            50 
      1  -0.213914D+02 -0.121914D+02 -0.101921D+01 -0.285054D+02 -0.427445D+02
      2   0.130017D+02  0.137201D+02  0.236694D+01  0.255799D+02  0.389738D+02
      3   0.838977D+01 -0.152865D+01 -0.134773D+01  0.292550D+01  0.377072D+01
      4   0.761481D+01 -0.167029D+02 -0.132453D+02 -0.254162D+02 -0.373322D+02
      5   0.103976D+02 -0.105363D+02 -0.353391D+01 -0.988115D+01  0.780490D+01
      6  -0.765303D+01  0.818161D+01  0.300470D+01  0.883434D+01 -0.120173D+02
                51            52            53            54            55 
      1  -0.447045D+01 -0.353169D+01 -0.890447D+01 -0.160432D+02  0.587123D+01
      2   0.363243D+00  0.344607D+01 -0.395043D+01  0.255282D+01 -0.529655D+01
      3   0.410721D+01  0.856133D-01  0.128549D+02  0.134904D+02 -0.574683D+00
      4   0.100723D+02 -0.198974D+02  0.135487D+02 -0.907265D+01  0.280720D+00
      5  -0.107211D+02 -0.106782D+01 -0.886878D+01 -0.144962D+01 -0.420949D+01
      6   0.298092D+01  0.526240D+01  0.163518D+02  0.747994D+00 -0.230826D+01
                56            57            58            59            60 
      1   0.104273D+02  0.765100D+01  0.123764D+02  0.448622D+02 -0.447154D+01
      2  -0.120570D+02 -0.104508D+02 -0.129993D+02 -0.482053D+02  0.967988D+01
      3   0.162968D+01  0.279982D+01  0.622892D+00  0.334318D+01 -0.520833D+01
      4   0.962788D+00  0.146289D+00  0.777606D+01  0.352254D+01 -0.113228D+02
      5  -0.572039D+00 -0.409379D+01  0.258416D+00 -0.713692D+01  0.646961D+00
      6  -0.109190D+02 -0.338325D+01 -0.620302D+01  0.128926D+02 -0.182789D+02
                61            62            63            64            65 
      1   0.870603D+01 -0.750932D+01  0.244468D+02 -0.202345D+01  0.460040D+01
      2  -0.787114D+01  0.146855D+02 -0.279827D+02 -0.456413D+01 -0.452025D+01
      3  -0.834893D+00 -0.717618D+01  0.353598D+01  0.658758D+01 -0.801481D-01
      4  -0.191015D+01 -0.135185D+02 -0.368467D+01  0.419565D+01  0.582814D+01
      5  -0.201008D+01 -0.448613D+01 -0.387724D+01  0.140761D+02 -0.746991D+00
      6  -0.109319D+02 -0.401313D+02 -0.740911D+01 -0.173691D+01  0.470021D+01
                66            67            68            69            70 
      1   0.125787D+02  0.716618D+01  0.145591D+02  0.106381D+01  0.224297D+02
      2  -0.964266D+01 -0.527291D+01 -0.850571D+01 -0.262983D+01 -0.149576D+02
      3  -0.293609D+01 -0.189327D+01 -0.605335D+01  0.156602D+01 -0.747208D+01
      4  -0.325844D+01  0.204582D+02 -0.161180D+02  0.834740D+01 -0.477062D+01
      5   0.149879D+02 -0.867624D-01  0.898513D+01  0.255025D+01  0.207986D+02
      6  -0.428022D+00  0.126930D+01 -0.599235D+01  0.384661D+01 -0.267716D+01
                71            72            73            74            75 
      1  -0.174502D+01  0.149605D+02  0.181318D+01  0.626754D+00  0.327577D+01
      2  -0.104242D+01 -0.118259D+02 -0.459069D+01  0.940315D+00  0.382213D+01
      3   0.278744D+01 -0.313455D+01  0.277751D+01 -0.156707D+01 -0.709789D+01
      4   0.674732D+01 -0.715511D+00 -0.716030D+01  0.713071D+01  0.553070D+01
      5   0.110092D+01 -0.224972D+01 -0.860894D+01  0.565305D+01  0.135247D+02
      6   0.504865D+01  0.136237D+01  0.542294D+01 -0.428218D+01 -0.634998D+01
                76            77            78            79            80 
      1   0.128200D+01 -0.937368D+01 -0.924357D+01  0.345682D+01 -0.828350D+01
      2   0.715700D+00  0.364857D+01  0.834844D+00  0.380217D+01 -0.175686D+01
      3  -0.199770D+01  0.572511D+01  0.840873D+01 -0.725898D+01  0.100404D+02
      4   0.410775D+01 -0.474902D+01 -0.592312D+01  0.523572D+01 -0.635297D+01
      5   0.434195D+01 -0.604392D+01 -0.736469D+01  0.974721D+01 -0.801973D+01
      6  -0.345844D+01  0.999490D+01  0.130091D+02 -0.540624D+01  0.128261D+02
                81            82            83            84            85 
      1  -0.192199D+02  0.906148D+01  0.598762D+00 -0.300884D+00 -0.183611D+01
      2  -0.996078D+01 -0.654602D+01  0.630046D+00  0.227741D+01  0.158355D+01
      3   0.291807D+02 -0.251547D+01 -0.122881D+01 -0.197652D+01  0.252563D+00
      4  -0.932870D+01  0.148732D+02  0.136731D+02 -0.103627D+02  0.101725D+02
      5  -0.171689D+02 -0.129725D+02 -0.909668D+01  0.138100D+02 -0.695418D+01
      6   0.190091D+02 -0.877647D+01 -0.791505D+01  0.836276D+01 -0.708479D+01
                86            87            88            89            90 
      1  -0.675852D+01  0.349483D+01 -0.902400D+00  0.290101D+01 -0.577388D+01
      2   0.802740D+01 -0.208660D+01  0.342990D+01 -0.118302D+00 -0.383239D+01
      3  -0.126887D+01 -0.140823D+01 -0.252750D+01 -0.278270D+01  0.960627D+01
      4   0.139578D+02 -0.964531D+01 -0.976479D+01 -0.102518D+02  0.113726D+02
      5  -0.880780D+01  0.681192D+01  0.116893D+02  0.968091D+01 -0.138177D+02
      6  -0.125182D+02  0.113569D+02  0.926143D+01  0.128657D+02 -0.145876D+02
                91            92            93            94            95 
      1   0.363902D+02  0.131859D+02  0.160313D+02  0.152868D+02  0.126187D+02
      2  -0.198363D+02 -0.528246D+01 -0.814714D+01 -0.561004D+01 -0.302365D+01
      3  -0.165539D+02 -0.790340D+01 -0.788418D+01 -0.967675D+01 -0.959501D+01
      4   0.172289D+02  0.139366D+02  0.108763D+02  0.229820D+02  0.221826D+02
      5   0.203829D+02  0.109109D+02  0.180894D+02  0.106635D+02  0.943565D+01
      6   0.651544D+01  0.341769D+01  0.455239D+01  0.471863D+01  0.443549D+01
                96            97            98            99           100 
      1   0.697482D+01  0.357134D+02  0.159713D+02  0.166358D+02  0.512064D+02
      2  -0.199049D+01 -0.205425D+02 -0.799658D+01 -0.126746D+02 -0.296312D+02
      3  -0.498433D+01 -0.151708D+02 -0.797473D+01 -0.396118D+01 -0.215752D+02
      4   0.970051D+01  0.231682D+02  0.180880D+02  0.197329D+02 -0.151864D+02
      5   0.134307D+02  0.319977D+02  0.224330D+02  0.353520D+02 -0.161946D+02
      6   0.808191D+01  0.105372D+02  0.117586D+02  0.112960D+02  0.133308D+01
               101           102           103           104           105 
      1  -0.162909D+02 -0.121582D+02 -0.362533D+02  0.137982D+02  0.950900D+01
      2   0.103235D+02  0.875159D+01  0.207357D+02 -0.722888D+01 -0.737303D+01
      3   0.596737D+01  0.340665D+01  0.155176D+02 -0.656928D+01 -0.213597D+01
      4   0.124440D+02  0.538825D+01  0.189196D+02 -0.170340D+02 -0.748713D+01
      5   0.652116D+01  0.139533D+02  0.132530D+02 -0.801739D+01 -0.973100D+01
      6  -0.467734D+00  0.399934D+00 -0.192245D+01  0.188439D+01  0.291571D+01
               106           107           108           109           110 
      1  -0.179879D+02  0.672878D+01  0.111129D+02  0.462415D+01  0.712965D+01
      2   0.130167D+02 -0.578232D+01 -0.962467D+01 -0.255509D+01 -0.436892D+01
      3   0.497120D+01 -0.946460D+00 -0.148826D+01 -0.206906D+01 -0.276073D+01
      4   0.647916D+01 -0.689266D+01 -0.381284D+01  0.512863D+01  0.493954D+01
      5   0.185505D+02 -0.427282D+01 -0.122263D+02 -0.303206D+01 -0.265980D+00
      6  -0.884426D+00  0.371310D+01  0.115964D+01 -0.194710D+01  0.139585D+01
               111           112           113           114           115 
      1  -0.423839D+01  0.136270D+02 -0.143686D+01  0.537016D+01 -0.784036D+01
      2   0.198916D+01 -0.442401D+01  0.123685D+02 -0.563296D+01  0.447059D+01
      3   0.224923D+01 -0.920303D+01 -0.109317D+02  0.262797D+00  0.336977D+01
      4  -0.639246D+00  0.227001D+02  0.419416D+02 -0.194365D+02 -0.906308D+01
      5   0.480553D+01 -0.830327D+01 -0.221041D+02  0.184974D+02  0.172090D+02
      6   0.471253D+00 -0.734769D+01 -0.194424D+02  0.140628D+02  0.815057D+01
               116           117           118           119           120 
      1   0.682493D+01 -0.982156D+00 -0.285244D+01 -0.666952D+01 -0.481802D+01
      2  -0.630614D+01 -0.207429D+01  0.303445D+01  0.864522D+01  0.489009D+01
      3  -0.518791D+00  0.305644D+01 -0.182007D+00 -0.197570D+01 -0.720705D-01
      4  -0.232239D+02  0.200659D+02  0.608562D+01  0.900338D+01  0.525845D+01
      5   0.236079D+02 -0.200286D+02  0.250278D+01  0.368712D+01  0.527914D+01
      6   0.179007D+02 -0.137523D+02  0.742052D+01  0.784297D+01  0.596691D+01
               121           122           123           124           125 
      1  -0.615811D+01 -0.255141D+02 -0.936860D+01 -0.777045D+01 -0.205967D+02
      2   0.792682D+01  0.308328D+02  0.105648D+02  0.645516D+01  0.202960D+02
      3  -0.176871D+01 -0.531864D+01 -0.119622D+01  0.131529D+01  0.300786D+00
      4   0.382149D+01  0.413745D+01  0.373613D+01  0.595403D+01  0.611432D+01
      5   0.169260D+01  0.293809D+01  0.124674D+01  0.540860D+01  0.440888D+01
      6   0.457925D+01  0.153866D+02  0.152313D+02  0.850597D+01  0.290726D+02
               126           127           128           129           130 
      1  -0.202609D+02 -0.110571D+01  0.298384D+01 -0.212176D+01 -0.422846D+01
      2   0.151150D+02  0.440027D+01 -0.592631D+01  0.253335D+01  0.226280D+01
      3   0.514592D+01 -0.329456D+01  0.294247D+01 -0.411589D+00  0.196566D+01
      4   0.473731D+01 -0.375113D+01  0.113387D+02 -0.374019D+01  0.541926D+01
      5   0.314155D+01  0.249874D+01 -0.235381D+01  0.408628D+01 -0.191111D+01
      6   0.245066D+02 -0.439214D+01  0.508882D+01 -0.660020D+00  0.199634D+00
               131           132           133           134           135 
      1  -0.455010D+02  0.146964D+02  0.515099D+00  0.244850D+02 -0.178328D+02
      2   0.629942D+02 -0.190658D+02  0.696019D+00 -0.292813D+02  0.167115D+02
      3  -0.174933D+02  0.436941D+01 -0.121112D+01  0.479630D+01  0.112125D+01
      4  -0.999967D+01  0.442970D+01 -0.353668D+01  0.566576D+01 -0.323772D+01
      5   0.316594D+01 -0.141943D+01  0.331748D+01 -0.164534D+01  0.231302D+01
      6  -0.291441D+02  0.169744D+02  0.248227D+01  0.291320D+02 -0.169177D+02
               136           137           138           139           140 
      1   0.162633D+02 -0.480917D+01 -0.707372D+00 -0.783191D+01  0.722599D+01
      2  -0.957721D+00  0.707001D+01  0.899966D+01  0.116959D+02 -0.233925D+01
      3  -0.153056D+02 -0.226083D+01 -0.829229D+01 -0.386399D+01 -0.488674D+01
      4  -0.890255D+01 -0.358468D+01 -0.202697D+01 -0.100080D+02  0.159359D+02
      5   0.827094D-01 -0.680732D+01 -0.153293D+02 -0.833276D+01 -0.209997D+02
      6  -0.518378D+01 -0.922228D+01 -0.326650D+01 -0.140479D+02  0.207333D+02
               141           142           143           144           145 
      1  -0.474600D+01 -0.397467D+00 -0.246554D+01 -0.103340D+02  0.468565D+01
      2   0.153021D+02  0.811181D+01  0.116696D+02  0.408724D+01 -0.175738D+01
      3  -0.105561D+02 -0.771434D+01 -0.920403D+01  0.624677D+01 -0.292827D+01
      4  -0.173677D+02 -0.722891D+00 -0.108047D+02 -0.394133D+01 -0.169723D+02
      5  -0.949539D+01 -0.218752D+02 -0.646856D+01 -0.108436D+02 -0.211393D+02
      6  -0.197469D+02 -0.236215D+01 -0.163311D+02 -0.850873D+01  0.674859D+00
               146           147           148           149           150 
      1  -0.181053D+02 -0.182796D+02 -0.237842D+02 -0.231625D+02 -0.815699D+01
      2   0.148310D+02  0.744097D+01  0.218266D+02  0.389195D+00  0.705773D+01
      3   0.327429D+01  0.108387D+02  0.195759D+01  0.227733D+02  0.109926D+01
      4  -0.246422D+02 -0.352046D+01 -0.418611D+02  0.367791D+02 -0.172463D+02
      5  -0.385027D+01 -0.196306D+02 -0.608010D+01 -0.155663D+02 -0.119733D+02
      6  -0.197264D+01  0.712810D+00 -0.272963D+01  0.260424D+01 -0.152802D+01
               151           152           153           154           155 
      1  -0.249366D+02 -0.766519D+01 -0.208720D+02 -0.888614D+01  0.124213D-01
      2   0.804474D+01  0.645238D+01  0.175820D+02  0.247028D+01 -0.416414D+00
      3   0.168919D+02  0.121281D+01  0.328995D+01  0.641586D+01  0.403992D+00
      4  -0.489854D+01 -0.187813D+02 -0.961599D+01  0.583814D+01 -0.885071D-02
      5  -0.266976D+02 -0.103678D+02  0.315637D+02 -0.148715D+02  0.181610D+01
      6   0.840762D+00  0.123302D+01 -0.385299D+01  0.184215D+01 -0.320677D+01
               156           157           158           159           160 
      1   0.938848D+01  0.172961D+01 -0.227355D+01 -0.141887D+01  0.476913D+01
      2   0.283375D+01 -0.201222D+01  0.116654D+01 -0.215529D+01  0.230176D+01
      3  -0.122222D+02  0.282616D+00  0.110701D+01  0.357416D+01 -0.707089D+01
      4  -0.109592D+01  0.161017D+01 -0.657590D+00  0.136781D+01 -0.952686D+00
      5   0.322319D+01  0.259708D+01  0.745654D+00  0.163577D+01  0.713943D+01
      6   0.178463D+01 -0.127818D+01 -0.847825D+00  0.371147D+01  0.413691D+00
               161           162           163           164           165 
      1  -0.826504D+00 -0.371212D+01  0.728142D+01  0.302699D+01  0.144545D+01
      2  -0.105345D+01 -0.273525D+01 -0.117713D+02 -0.488708D+01 -0.127570D+02
      3   0.187996D+01  0.644737D+01  0.448987D+01  0.186009D+01  0.113115D+02
      4  -0.450479D+00  0.126187D+01  0.625604D+01  0.640294D+01  0.467716D+01
      5   0.363566D+00 -0.413519D+01  0.188718D+02  0.793647D+01  0.221793D+02
      6   0.296144D+01  0.113773D+01  0.596842D+01  0.672400D+01  0.524720D+01
               166           167           168           169           170 
      1   0.416984D+01 -0.239201D+01 -0.405401D+01  0.198229D+00 -0.226921D+01
      2  -0.716209D+01 -0.249473D+01 -0.104651D+02 -0.997729D+01 -0.634074D+01
      3   0.299225D+01  0.488674D+01  0.145191D+02  0.977906D+01  0.860995D+01
      4   0.752362D+01  0.656558D+01  0.920742D+01  0.311248D+01  0.556353D+01
      5   0.125434D+02  0.117299D+02  0.166059D+02  0.171838D+02  0.843953D+01
      6   0.803582D+01  0.842650D+01  0.137922D+02  0.458316D+01  0.946789D+01
               171           172           173           174           175 
      1  -0.799635D+01 -0.140617D+00 -0.123850D+01 -0.590501D-01 -0.374971D+00
      2  -0.181592D+02  0.112312D+00 -0.894232D+00 -0.224118D+01 -0.217937D+01
      3   0.261556D+02  0.283042D-01  0.213273D+01  0.230023D+01  0.255434D+01
      4   0.630508D+01 -0.545694D+01  0.922968D+01 -0.424885D+01  0.112735D+02
      5   0.250148D+02  0.541151D+01 -0.553135D+01  0.833005D+01 -0.730568D+01
      6   0.107449D+02 -0.486026D+01  0.617527D+01 -0.300939D+01  0.878607D+01
               176           177           178           179           180 
      1  -0.162663D+02  0.124816D+02 -0.102424D+01  0.730074D+01 -0.733094D+01
      2   0.175377D+02 -0.459633D+01 -0.170819D+01 -0.122839D+01 -0.112519D+01
      3  -0.127139D+01 -0.788526D+01  0.273243D+01 -0.607235D+01  0.845613D+01
      4  -0.224449D+02  0.121070D+02 -0.184961D+01  0.572228D+01 -0.512839D+01
      5   0.136531D+02 -0.102211D+02  0.628829D+01 -0.497257D+01  0.785150D+01
      6  -0.316502D+02  0.228432D+02 -0.285453D+01  0.144849D+02 -0.115672D+02
               181           182           183           184           185 
      1   0.110151D+02  0.266033D+01 -0.964928D+01  0.595678D+01  0.308476D+01
      2  -0.849137D+01 -0.191777D+01  0.702095D+01 -0.424878D+01 -0.109151D+01
      3  -0.252378D+01 -0.742563D+00  0.262833D+01 -0.170800D+01 -0.199326D+01
      4   0.173723D+01  0.440291D+01  0.356321D+00  0.787554D+01 -0.123129D+01
      5  -0.116556D+02 -0.475062D+00  0.159094D+02 -0.195700D+01 -0.389275D+01
      6   0.622684D+00 -0.276378D+00 -0.108034D+01 -0.142737D+01 -0.656107D+00
               186           187           188           189           190 
      1  -0.416168D+00 -0.189293D+02  0.514168D+00  0.992005D+01  0.166686D+02
      2   0.123616D+01  0.145692D+02  0.927872D+00 -0.189768D+02 -0.411751D+01
      3  -0.819987D+00  0.436003D+01 -0.144204D+01  0.905670D+01 -0.125511D+02
      4  -0.415345D+01  0.174096D+01 -0.648987D+01  0.263209D+01 -0.155476D+02
      5   0.594740D+01  0.265716D+02  0.338037D+01 -0.481585D+02  0.393384D+01
      6   0.408948D+01 -0.208914D+01  0.358957D+01  0.446154D+01 -0.964432D+00
               191           192           193           194           195 
      1  -0.104455D+02  0.387998D+01 -0.209989D+02  0.946443D+01  0.174207D+00
      2   0.131979D+01 -0.131048D+01  0.919236D-02  0.163546D+02 -0.250559D+01
      3   0.912574D+01 -0.256950D+01  0.209897D+02 -0.258190D+02  0.233139D+01
      4   0.198418D+02 -0.252002D+01  0.386162D+02 -0.564070D+02  0.912720D+01
      5  -0.184398D+01  0.534842D+01 -0.236955D+01  0.768375D+01 -0.901339D+01
      6   0.601820D+00 -0.578787D+00  0.143547D+01 -0.234446D+01  0.623215D+01
               196           197           198           199           200 
      1   0.883577D+01 -0.969151D+00  0.376969D+01  0.510792D+02  0.165392D+02
      2  -0.282684D+01 -0.176108D+01 -0.114451D+01 -0.265359D+02 -0.904364D+01
      3  -0.600892D+01  0.273023D+01 -0.262518D+01 -0.245433D+02 -0.749554D+01
      4  -0.611711D+01  0.109901D+02 -0.691046D+01  0.167632D+02  0.152622D+02
      5   0.995038D+01 -0.684951D+01  0.276020D+01  0.178604D+02  0.682332D+01
      6  -0.336572D+01  0.595524D+01 -0.267664D+01  0.108339D+01  0.539382D+00
               201           202           203           204           205 
      1   0.163387D+02  0.338821D+02  0.155765D+02  0.869052D+01  0.302890D+02
      2  -0.905170D+01 -0.172692D+02 -0.449051D+01 -0.536133D+01 -0.170957D+02
      3  -0.728697D+01 -0.166129D+02 -0.110860D+02 -0.332919D+01 -0.131932D+02
      4   0.668404D+01  0.242384D+02  0.154832D+02  0.108136D+02  0.911668D+01
      5   0.147966D+02  0.112815D+02  0.985444D+01  0.125862D+02  0.218144D+02
      6  -0.105039D+00  0.215767D+01  0.179647D+01  0.265885D+01  0.143574D+01
               206           207           208           209           210 
      1   0.741327D+01  0.144023D+02 -0.119623D+01  0.154992D+01 -0.195075D+01
      2  -0.506518D+01 -0.114709D+02  0.311075D+01 -0.180303D+01  0.613921D+00
      3  -0.234808D+01 -0.293133D+01 -0.191452D+01  0.253117D+00  0.133683D+01
      4   0.121151D+02  0.850245D+01  0.987987D+00  0.770690D+01 -0.634404D+00
      5   0.873674D+01  0.155378D+02 -0.145027D+01  0.258611D+00  0.327833D+01
      6   0.219997D+01  0.225002D+01 -0.204546D+01  0.646331D+00  0.960429D+00
               211           212           213           214           215 
      1  -0.100055D+01 -0.261753D+02  0.417604D+01 -0.203799D+01  0.119894D+02
      2   0.278392D+01  0.427657D+02 -0.886157D+01 -0.102004D+01 -0.207538D+02
      3  -0.178337D+01 -0.165904D+02  0.468553D+01  0.305803D+01  0.876445D+01
      4   0.628979D+01  0.148086D+02 -0.224599D+01 -0.276484D+01 -0.683131D+01
      5   0.206969D+00 -0.188672D+01  0.277344D+01  0.331456D+01  0.450988D+01
      6  -0.524359D+00 -0.810331D+01  0.733120D+01  0.232147D+01  0.132839D+02
               216           217           218           219           220 
      1  -0.604850D+01  0.329459D+01 -0.281077D+01 -0.172954D+01 -0.309723D+01
      2   0.614842D+01 -0.461384D+01 -0.151048D+00 -0.271408D+01  0.212420D+01
      3  -0.999208D-01  0.131926D+01  0.296182D+01  0.444362D+01  0.973031D+00
      4   0.519807D+01  0.754534D+01  0.105066D+02  0.963698D+01  0.606987D+01
      5  -0.836326D+00  0.111134D+02  0.874966D+01  0.127714D+02  0.383072D+01
      6  -0.421700D+01  0.745558D+01  0.901830D+01  0.847149D+01  0.562500D+01
               221           222           223           224           225 
      1  -0.113709D+02 -0.705928D+01 -0.238779D+01 -0.112582D+02 -0.179372D+02
      2   0.892405D+01  0.278960D+01 -0.214097D+01 -0.112473D+01 -0.572407D+01
      3   0.244688D+01  0.426968D+01  0.452877D+01  0.123829D+02  0.236613D+02
      4   0.107142D+02  0.799988D+01  0.928547D+01  0.111359D+02  0.149657D+02
      5   0.813800D+01  0.725282D+01  0.123738D+02  0.138795D+02  0.215670D+02
      6   0.127080D+02  0.143577D+02  0.945443D+01  0.218842D+02  0.262852D+02
               226           227           228           229           230 
      1   0.185684D+02 -0.958941D+01 -0.389159D+01 -0.672080D+01 -0.369734D+01
      2  -0.408663D+01 -0.109282D-01  0.163807D+01 -0.259860D+01  0.140289D+02
      3  -0.144817D+02  0.960034D+01  0.225353D+01  0.931940D+01 -0.103315D+02
      4  -0.289069D+02  0.237075D+02  0.108846D+02  0.205043D+02 -0.281533D+02
      5  -0.109410D+02  0.871614D+01  0.927490D+01  0.588093D+01 -0.836812D+01
      6   0.663971D+01 -0.704216D+01 -0.556701D+01 -0.575861D+01  0.983033D+01
               231           232           233           234 
      1  -0.150789D+01 -0.431393D+01  0.116082D+01  0.253846D+01
      2   0.313799D+01  0.147722D+01  0.424857D+01 -0.101767D+01
      3  -0.163011D+01  0.283672D+01 -0.540939D+01 -0.152079D+01
      4  -0.102373D+02  0.125452D+02 -0.153990D+02 -0.709951D+01
      5  -0.587879D+01  0.967875D+01 -0.464229D+01 -0.695642D+01
      6   0.685235D+01 -0.651701D+01  0.455452D+01  0.568306D+01
 End of Minotr F.D. properties file   788 does not exist.
 Leave Link 1002 at Thu Jul 22 19:35:46 2021, MaxMem=  5637144576 cpu:           39860.9 elap:            4994.8
 (Enter /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l601.exe)
 Copying SCF densities to generalized density rwf, IOpCl= 0 IROHF=0.

 **********************************************************************

            Population analysis using the SCF density.

 **********************************************************************

 Orbital symmetries:
       Occupied  (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A)
       Virtual   (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A)
 The electronic state is 1-A.
 Alpha  occ. eigenvalues --  -10.17585 -10.16992 -10.16944 -10.16882 -10.16818
 Alpha  occ. eigenvalues --  -10.16781 -10.16182 -10.15740 -10.15732 -10.15455
 Alpha  occ. eigenvalues --   -0.87955  -0.80841  -0.75091  -0.73028  -0.69464
 Alpha  occ. eigenvalues --   -0.68148  -0.64036  -0.57670  -0.53019  -0.49588
 Alpha  occ. eigenvalues --   -0.47369  -0.46275  -0.44780  -0.43921  -0.42310
 Alpha  occ. eigenvalues --   -0.41086  -0.40402  -0.39033  -0.38579  -0.37963
 Alpha  occ. eigenvalues --   -0.37431  -0.36780  -0.35681  -0.33226  -0.31541
 Alpha  occ. eigenvalues --   -0.27054  -0.25855  -0.23429
 Alpha virt. eigenvalues --   -0.00152   0.01533   0.01692   0.02303   0.02830
 Alpha virt. eigenvalues --    0.03778   0.04494   0.04964   0.06324   0.06595
 Alpha virt. eigenvalues --    0.07257   0.07589   0.08244   0.08525   0.09609
 Alpha virt. eigenvalues --    0.10575   0.10972   0.11399   0.11515   0.12676
 Alpha virt. eigenvalues --    0.12812   0.13027   0.13865   0.14419   0.15819
 Alpha virt. eigenvalues --    0.16122   0.16262   0.17281   0.17417   0.18569
 Alpha virt. eigenvalues --    0.18889   0.19317   0.19994   0.20278   0.20813
 Alpha virt. eigenvalues --    0.21283   0.21663   0.21925   0.22577   0.22674
 Alpha virt. eigenvalues --    0.22888   0.23494   0.23854   0.23977   0.24410
 Alpha virt. eigenvalues --    0.25033   0.25591   0.25931   0.26135   0.26356
 Alpha virt. eigenvalues --    0.27012   0.27370   0.27735   0.28374   0.28441
 Alpha virt. eigenvalues --    0.29060   0.29247   0.29556   0.29745   0.29936
 Alpha virt. eigenvalues --    0.30254   0.30587   0.31339   0.31567   0.31908
 Alpha virt. eigenvalues --    0.32690   0.32963   0.33257   0.33996   0.34427
 Alpha virt. eigenvalues --    0.34935   0.35575   0.35760   0.36326   0.36933
 Alpha virt. eigenvalues --    0.37511   0.37614   0.38419   0.38601   0.39057
 Alpha virt. eigenvalues --    0.39248   0.39635   0.40143   0.40494   0.40678
 Alpha virt. eigenvalues --    0.41626   0.42007   0.42321   0.42461   0.42973
 Alpha virt. eigenvalues --    0.43526   0.43704   0.44425   0.44591   0.44780
 Alpha virt. eigenvalues --    0.45108   0.45780   0.46500   0.46897   0.47191
 Alpha virt. eigenvalues --    0.47227   0.47823   0.48246   0.48270   0.49400
 Alpha virt. eigenvalues --    0.49743   0.50403   0.50740   0.51202   0.51827
 Alpha virt. eigenvalues --    0.52153   0.52660   0.52954   0.53386   0.54648
 Alpha virt. eigenvalues --    0.55016   0.55255   0.56314   0.56917   0.57466
 Alpha virt. eigenvalues --    0.58096   0.58650   0.59057   0.59245   0.60557
 Alpha virt. eigenvalues --    0.60702   0.60918   0.62017   0.62941   0.63505
 Alpha virt. eigenvalues --    0.63732   0.63901   0.64538   0.65376   0.65684
 Alpha virt. eigenvalues --    0.66157   0.66747   0.67072   0.67932   0.68606
 Alpha virt. eigenvalues --    0.68648   0.68702   0.69274   0.69319   0.70147
 Alpha virt. eigenvalues --    0.70341   0.70676   0.71340   0.71656   0.72075
 Alpha virt. eigenvalues --    0.72205   0.73352   0.73508   0.73822   0.73957
 Alpha virt. eigenvalues --    0.74829   0.75695   0.76428   0.76795   0.77071
 Alpha virt. eigenvalues --    0.77295   0.78272   0.79164   0.79360   0.79811
 Alpha virt. eigenvalues --    0.81021   0.81943   0.82203   0.83221   0.83710
 Alpha virt. eigenvalues --    0.84067   0.84818   0.84948   0.85758   0.86683
 Alpha virt. eigenvalues --    0.86770   0.88004   0.89104   0.89690   0.90293
 Alpha virt. eigenvalues --    0.92093   0.92138   0.92568   0.93346   0.94689
 Alpha virt. eigenvalues --    0.95358   0.96712   0.98147   0.99757   1.02143
 Alpha virt. eigenvalues --    1.03190   1.05846   1.06444   1.07465   1.07631
 Alpha virt. eigenvalues --    1.08744   1.11386   1.11880   1.13878   1.17272
 Alpha virt. eigenvalues --    1.18008   1.19305   1.20403   1.20951   1.22219
 Alpha virt. eigenvalues --    1.23585   1.23730   1.25930   1.26770   1.28138
 Alpha virt. eigenvalues --    1.29915   1.30577   1.32397   1.33543   1.34800
 Alpha virt. eigenvalues --    1.35050   1.36841   1.37284   1.40742   1.41314
 Alpha virt. eigenvalues --    1.44242   1.44643   1.45944   1.46467   1.47642
 Alpha virt. eigenvalues --    1.48147   1.50942   1.51925   1.53024   1.54102
 Alpha virt. eigenvalues --    1.55899   1.56994   1.57480   1.60854   1.61795
 Alpha virt. eigenvalues --    1.64597   1.65425   1.66334   1.68502   1.69471
 Alpha virt. eigenvalues --    1.70171   1.74030   1.77998   1.78991   1.79640
 Alpha virt. eigenvalues --    1.82083   1.83094   1.85143   1.85284   1.86601
 Alpha virt. eigenvalues --    1.87069   1.88115   1.89181   1.90191   1.90869
 Alpha virt. eigenvalues --    1.91067   1.92132   1.92680   1.93490   1.94883
 Alpha virt. eigenvalues --    1.95702   1.96672   1.97417   1.98256   2.00136
 Alpha virt. eigenvalues --    2.00504   2.03633   2.05532   2.07374   2.07561
 Alpha virt. eigenvalues --    2.10377   2.11897   2.12711   2.13671   2.14288
 Alpha virt. eigenvalues --    2.16710   2.17501   2.18966   2.21199   2.21904
 Alpha virt. eigenvalues --    2.22558   2.24501   2.25917   2.27430   2.28507
 Alpha virt. eigenvalues --    2.29275   2.31233   2.34191   2.34784   2.37506
 Alpha virt. eigenvalues --    2.38618   2.39448   2.42946   2.45443   2.45787
 Alpha virt. eigenvalues --    2.48576   2.49521   2.50485   2.51328   2.52482
 Alpha virt. eigenvalues --    2.52859   2.54683   2.55191   2.55944   2.58291
 Alpha virt. eigenvalues --    2.59559   2.60929   2.61490   2.62419   2.63094
 Alpha virt. eigenvalues --    2.65005   2.65040   2.67333   2.69215   2.69719
 Alpha virt. eigenvalues --    2.70154   2.72623   2.72998   2.73430   2.75527
 Alpha virt. eigenvalues --    2.75744   2.77424   2.78120   2.81383   2.81852
 Alpha virt. eigenvalues --    2.83024   2.83274   2.84960   2.85518   2.86435
 Alpha virt. eigenvalues --    2.89612   2.89984   2.91713   2.92203   2.94215
 Alpha virt. eigenvalues --    2.96066   2.97333   2.98774   2.99779   3.01263
 Alpha virt. eigenvalues --    3.01930   3.03402   3.05583   3.06607   3.07825
 Alpha virt. eigenvalues --    3.09172   3.09265   3.12280   3.16492   3.18210
 Alpha virt. eigenvalues --    3.19541   3.19833   3.20511   3.22352   3.23673
 Alpha virt. eigenvalues --    3.26196   3.27570   3.28853   3.30069   3.30613
 Alpha virt. eigenvalues --    3.31270   3.31672   3.32968   3.33140   3.34839
 Alpha virt. eigenvalues --    3.35599   3.36217   3.37885   3.38928   3.39687
 Alpha virt. eigenvalues --    3.40536   3.41125   3.42013   3.43900   3.44614
 Alpha virt. eigenvalues --    3.45981   3.46990   3.48850   3.50065   3.52520
 Alpha virt. eigenvalues --    3.53373   3.53656   3.55718   3.56373   3.58153
 Alpha virt. eigenvalues --    3.58771   3.60754   3.61309   3.63242   3.65410
 Alpha virt. eigenvalues --    3.66291   3.67848   3.68721   3.69683   3.73542
 Alpha virt. eigenvalues --    3.74515   3.74754   3.75765   3.77685   3.79360
 Alpha virt. eigenvalues --    3.80815   3.83224   3.85318   3.85549   3.90671
 Alpha virt. eigenvalues --    3.91460   3.94181   3.94525   3.95923   3.99287
 Alpha virt. eigenvalues --    3.99775   4.02966   4.04146   4.06622   4.08312
 Alpha virt. eigenvalues --    4.10935   4.13676   4.15646   4.17633   4.19840
 Alpha virt. eigenvalues --    4.21502   4.24121   4.26810   4.28061   4.30015
 Alpha virt. eigenvalues --    4.30257   4.31330   4.36104   4.37397   4.40424
 Alpha virt. eigenvalues --    4.45219   4.47005   4.48026   4.51575   4.51879
 Alpha virt. eigenvalues --    4.53135   4.54211   4.56254   4.57340   4.59501
 Alpha virt. eigenvalues --    4.62305   4.65106   4.65736   4.66882   4.67976
 Alpha virt. eigenvalues --    4.72897   4.78217   4.81584   4.86995   4.90137
 Alpha virt. eigenvalues --    4.93408   4.96555   5.01307   5.03344   5.05296
 Alpha virt. eigenvalues --    5.12296   5.14562   5.19526   5.26229   5.29337
 Alpha virt. eigenvalues --    5.37395   5.43831   5.47441   5.54389  22.59363
 Alpha virt. eigenvalues --   22.60794  22.66610  22.72048  22.80315  22.82731
 Alpha virt. eigenvalues --   22.84411  23.04353  23.19738  23.25470
          Condensed to atoms (all electrons):
               1          2          3          4          5          6
     1  C    7.360444   0.704334  -0.067419  -0.095250  -0.012528  -0.041410
     2  C    0.704334   7.131783  -0.175442  -0.005923  -0.002644   0.045822
     3  C   -0.067419  -0.175442   7.858737  -0.827297  -0.524779  -0.353994
     4  C   -0.095250  -0.005923  -0.827297   5.823327  -0.229854   0.764543
     5  C   -0.012528  -0.002644  -0.524779  -0.229854   7.402501  -0.147712
     6  C   -0.041410   0.045822  -0.353994   0.764543  -0.147712   5.961684
     7  C   -0.205147  -0.266917  -0.007592  -0.083774   0.047756  -0.098580
     8  C   -1.021531  -0.903391   0.112936   0.096632   0.031954   0.130383
     9  H    0.395426  -0.056923  -0.211070  -0.004979   0.001737   0.003386
    10  H   -0.066028   0.411360   0.021115  -0.013239   0.002097   0.022684
    11  H    0.002262   0.000664  -0.008584   0.006052   0.333424   0.005758
    12  H    0.000313  -0.000693  -0.000057  -0.072926   0.433945  -0.022172
    13  H   -0.004574  -0.000685  -0.001109  -0.005765   0.371476   0.001258
    14  H    0.008214   0.004252   0.007004  -0.001787  -0.002478  -0.014134
    15  H    0.012367  -0.088772  -0.008078  -0.005240  -0.000505  -0.074713
    16  C    0.015705  -0.007873   0.003235  -0.004822  -0.001407  -0.012455
    17  C   -0.512637  -0.529600   0.044156   0.012665  -0.000876  -0.014225
    18  H    0.050460   0.055747  -0.053775  -0.033338  -0.002198  -0.011458
    19  H   -0.028288  -0.013842   0.002466   0.003219   0.000310   0.001216
    20  H   -0.025476  -0.028231   0.028906  -0.000853   0.001241  -0.002003
    21  H   -0.092333  -0.089311  -0.002084   0.000291   0.000054   0.001534
    22  H    0.069556   0.039805  -0.003366  -0.000117  -0.000052   0.000136
    23  H    0.041560   0.069851  -0.003599  -0.000264   0.000032   0.000828
    24  H   -0.009896   0.011058   0.342975  -0.028370   0.030017  -0.010026
    25  H   -0.162396   0.019949   0.360236  -0.040480  -0.014542   0.002617
    26  H   -0.005687   0.010852   0.048871  -0.133178  -0.001139   0.429222
               7          8          9         10         11         12
     1  C   -0.205147  -1.021531   0.395426  -0.066028   0.002262   0.000313
     2  C   -0.266917  -0.903391  -0.056923   0.411360   0.000664  -0.000693
     3  C   -0.007592   0.112936  -0.211070   0.021115  -0.008584  -0.000057
     4  C   -0.083774   0.096632  -0.004979  -0.013239   0.006052  -0.072926
     5  C    0.047756   0.031954   0.001737   0.002097   0.333424   0.433945
     6  C   -0.098580   0.130383   0.003386   0.022684   0.005758  -0.022172
     7  C    6.738044   0.189762   0.016160  -0.210283   0.000733   0.001381
     8  C    0.189762   6.947449  -0.157815  -0.156488  -0.002110  -0.001149
     9  H    0.016160  -0.157815   0.777283  -0.009201   0.000448  -0.000125
    10  H   -0.210283  -0.156488  -0.009201   0.764358  -0.000003   0.000034
    11  H    0.000733  -0.002110   0.000448  -0.000003   0.341921   0.012172
    12  H    0.001381  -0.001149  -0.000125   0.000034   0.012172   0.335702
    13  H   -0.001937   0.003090  -0.000367   0.000082   0.006737   0.013453
    14  H    0.326367  -0.006279   0.000452   0.011306  -0.000389   0.000115
    15  H    0.401919   0.025035  -0.001402  -0.060359   0.000232  -0.000332
    16  C   -0.014389  -0.618170   0.032762   0.031911   0.000249  -0.000585
    17  C    0.066006  -0.206181  -0.039887  -0.054703   0.000024   0.000006
    18  H   -0.038869  -0.149640   0.005919   0.008297   0.000798  -0.000019
    19  H    0.021526   0.035180   0.001698  -0.005120  -0.000014   0.000079
    20  H    0.004200   0.035950  -0.005323   0.002373  -0.000045   0.000037
    21  H   -0.002746  -0.028570  -0.003473  -0.003459  -0.000005   0.000000
    22  H   -0.003125  -0.013376   0.005729   0.000472   0.000001  -0.000002
    23  H   -0.005319  -0.002310  -0.000054   0.006676   0.000002  -0.000002
    24  H    0.009596  -0.002886   0.014247   0.001827  -0.006425   0.003050
    25  H    0.002469   0.022537  -0.060813   0.001329   0.000315   0.001114
    26  H   -0.173078  -0.000157   0.000779   0.000304   0.004869  -0.011200
              13         14         15         16         17         18
     1  C   -0.004574   0.008214   0.012367   0.015705  -0.512637   0.050460
     2  C   -0.000685   0.004252  -0.088772  -0.007873  -0.529600   0.055747
     3  C   -0.001109   0.007004  -0.008078   0.003235   0.044156  -0.053775
     4  C   -0.005765  -0.001787  -0.005240  -0.004822   0.012665  -0.033338
     5  C    0.371476  -0.002478  -0.000505  -0.001407  -0.000876  -0.002198
     6  C    0.001258  -0.014134  -0.074713  -0.012455  -0.014225  -0.011458
     7  C   -0.001937   0.326367   0.401919  -0.014389   0.066006  -0.038869
     8  C    0.003090  -0.006279   0.025035  -0.618170  -0.206181  -0.149640
     9  H   -0.000367   0.000452  -0.001402   0.032762  -0.039887   0.005919
    10  H    0.000082   0.011306  -0.060359   0.031911  -0.054703   0.008297
    11  H    0.006737  -0.000389   0.000232   0.000249   0.000024   0.000798
    12  H    0.013453   0.000115  -0.000332  -0.000585   0.000006  -0.000019
    13  H    0.336169   0.000126  -0.000026  -0.000857  -0.000295   0.000863
    14  H    0.000126   0.465861  -0.024980  -0.025977   0.006391   0.000072
    15  H   -0.000026  -0.024980   0.571353   0.014207  -0.000702  -0.007752
    16  C   -0.000857  -0.025977   0.014207   7.932105  -0.561760   0.328142
    17  C   -0.000295   0.006391  -0.000702  -0.561760   8.215609  -0.096151
    18  H    0.000863   0.000072  -0.007752   0.328142  -0.096151   0.595207
    19  H   -0.000226   0.000771   0.000668   0.300454   0.025856  -0.037237
    20  H   -0.000476   0.000458   0.000123   0.287248   0.020288  -0.023310
    21  H    0.000005  -0.000821   0.001116  -0.012874   0.514943  -0.000778
    22  H    0.000016   0.000704  -0.000236   0.016472   0.223107   0.004357
    23  H    0.000004   0.000209  -0.000616   0.024056   0.195489   0.004264
    24  H   -0.001835   0.001116  -0.000433  -0.023722   0.001711   0.004277
    25  H   -0.002770   0.000220   0.000066   0.008945  -0.001322  -0.004407
    26  H   -0.003001   0.011702  -0.030354   0.001682   0.000321  -0.001605
              19         20         21         22         23         24
     1  C   -0.028288  -0.025476  -0.092333   0.069556   0.041560  -0.009896
     2  C   -0.013842  -0.028231  -0.089311   0.039805   0.069851   0.011058
     3  C    0.002466   0.028906  -0.002084  -0.003366  -0.003599   0.342975
     4  C    0.003219  -0.000853   0.000291  -0.000117  -0.000264  -0.028370
     5  C    0.000310   0.001241   0.000054  -0.000052   0.000032   0.030017
     6  C    0.001216  -0.002003   0.001534   0.000136   0.000828  -0.010026
     7  C    0.021526   0.004200  -0.002746  -0.003125  -0.005319   0.009596
     8  C    0.035180   0.035950  -0.028570  -0.013376  -0.002310  -0.002886
     9  H    0.001698  -0.005323  -0.003473   0.005729  -0.000054   0.014247
    10  H   -0.005120   0.002373  -0.003459   0.000472   0.006676   0.001827
    11  H   -0.000014  -0.000045  -0.000005   0.000001   0.000002  -0.006425
    12  H    0.000079   0.000037   0.000000  -0.000002  -0.000002   0.003050
    13  H   -0.000226  -0.000476   0.000005   0.000016   0.000004  -0.001835
    14  H    0.000771   0.000458  -0.000821   0.000704   0.000209   0.001116
    15  H    0.000668   0.000123   0.001116  -0.000236  -0.000616  -0.000433
    16  C    0.300454   0.287248  -0.012874   0.016472   0.024056  -0.023722
    17  C    0.025856   0.020288   0.514943   0.223107   0.195489   0.001711
    18  H   -0.037237  -0.023310  -0.000778   0.004357   0.004264   0.004277
    19  H    0.362149   0.017202  -0.000101  -0.007589   0.003456   0.000435
    20  H    0.017202   0.367619   0.000118   0.004155  -0.007078   0.004799
    21  H   -0.000101   0.000118   0.384203  -0.010415  -0.011520  -0.001157
    22  H   -0.007589   0.004155  -0.010415   0.349624   0.037290   0.001079
    23  H    0.003456  -0.007078  -0.011520   0.037290   0.358126   0.000624
    24  H    0.000435   0.004799  -0.001157   0.001079   0.000624   0.477425
    25  H    0.000220   0.001739   0.001288  -0.001094  -0.000319  -0.014186
    26  H   -0.000211   0.000163  -0.000031   0.000016   0.000011  -0.000781
              25         26
     1  C   -0.162396  -0.005687
     2  C    0.019949   0.010852
     3  C    0.360236   0.048871
     4  C   -0.040480  -0.133178
     5  C   -0.014542  -0.001139
     6  C    0.002617   0.429222
     7  C    0.002469  -0.173078
     8  C    0.022537  -0.000157
     9  H   -0.060813   0.000779
    10  H    0.001329   0.000304
    11  H    0.000315   0.004869
    12  H    0.001114  -0.011200
    13  H   -0.002770  -0.003001
    14  H    0.000220   0.011702
    15  H    0.000066  -0.030354
    16  C    0.008945   0.001682
    17  C   -0.001322   0.000321
    18  H   -0.004407  -0.001605
    19  H    0.000220  -0.000211
    20  H    0.001739   0.000163
    21  H    0.001288  -0.000031
    22  H   -0.001094   0.000016
    23  H   -0.000319   0.000011
    24  H   -0.014186  -0.000781
    25  H    0.506927   0.003627
    26  H    0.003627   0.647746
 Mulliken charges:
               1
     1  C   -0.310040
     2  C   -0.335232
     3  C   -0.582391
     4  C    0.880727
     5  C   -1.715830
     6  C   -0.568191
     7  C   -0.714162
     8  C    1.639147
     9  H    0.295406
    10  H    0.292657
    11  H    0.300913
    12  H    0.307860
    13  H    0.290647
    14  H    0.231504
    15  H    0.277415
    16  C   -1.712282
    17  C   -1.308231
    18  H    0.402133
    19  H    0.315721
    20  H    0.316177
    21  H    0.356127
    22  H    0.286855
    23  H    0.288603
    24  H    0.195482
    25  H    0.368730
    26  H    0.200256
 Sum of Mulliken charges =  -0.00000
 Mulliken charges with hydrogens summed into heavy atoms:
               1
     1  C   -0.014634
     2  C   -0.042574
     3  C   -0.018179
     4  C    0.880727
     5  C   -0.816410
     6  C   -0.367936
     7  C   -0.205243
     8  C    1.639147
    16  C   -0.678252
    17  C   -0.376646
 Electronic spatial extent (au):  <R**2>=           1565.2054
 Charge=             -0.0000 electrons
 Dipole moment (field-independent basis, Debye):
    X=             -0.0165    Y=             -0.1100    Z=             -0.1288  Tot=              0.1702
 Quadrupole moment (field-independent basis, Debye-Ang):
   XX=            -64.3015   YY=            -63.0017   ZZ=            -64.4656
   XY=              0.6263   XZ=             -0.6253   YZ=              0.5218
 Traceless Quadrupole moment (field-independent basis, Debye-Ang):
   XX=             -0.3786   YY=              0.9212   ZZ=             -0.5427
   XY=              0.6263   XZ=             -0.6253   YZ=              0.5218
 Octapole moment (field-independent basis, Debye-Ang**2):
  XXX=             -3.9764  YYY=              1.9685  ZZZ=             -3.7800  XYY=             -1.0474
  XXY=              0.7090  XXZ=              0.5746  XZZ=              1.8907  YZZ=             -0.6758
  YYZ=              0.4005  XYZ=             -1.7133
 Hexadecapole moment (field-independent basis, Debye-Ang**3):
 XXXX=          -1448.9090 YYYY=           -464.4022 ZZZZ=           -333.7345 XXXY=              1.1883
 XXXZ=             -2.9732 YYYX=             -4.3785 YYYZ=             -4.6348 ZZZX=             -2.0801
 ZZZY=              4.4749 XXYY=           -314.5398 XXZZ=           -289.9958 YYZZ=           -128.6434
 XXYZ=              5.9998 YYXZ=             -0.9037 ZZXY=              4.8258
 N-N= 5.514859429675D+02 E-N=-2.007854220831D+03  KE= 3.886613061355D+02
 No NMR shielding tensors so no spin-rotation constants.
 Leave Link  601 at Thu Jul 22 19:35:47 2021, MaxMem=  5637144576 cpu:               2.8 elap:               0.5
 (Enter /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l716.exe)
 Electric field and nuclear coordinate derivatives read from checkpoint file.
 Rotating derivatives to standard orientation.
 Dipole        =-6.99461372D-03-4.19829553D-02-4.97388206D-02
 Polarizability= 1.26502754D+02 3.99572358D+00 1.15584620D+02
                 4.11182155D-01 2.40014589D+00 9.70184714D+01
 Translational dAlpha, IFr= 1:
                x                       y                       z
         lhs       rhs           lhs       rhs           lhs       rhs
 1      0.0000    0.0000       -0.0000    0.0000        0.0000    0.0000
 2      0.0000    0.0000        0.0000    0.0000       -0.0000    0.0000
 3      0.0000    0.0000       -0.0000    0.0000        0.0000    0.0000
 4     -0.0000    0.0000        0.0000    0.0000       -0.0000    0.0000
 5     -0.0000    0.0000        0.0000    0.0000       -0.0000    0.0000
 6     -0.0000    0.0000        0.0000    0.0000        0.0000    0.0000
 Translational dG, IFr= 1:
                x                       y                       z
         lhs       rhs           lhs       rhs           lhs       rhs
 1      0.0000    0.0000       -0.1856   -0.1917        2.2341    2.2363
 2      0.1856    0.1917       -1.2495   -1.2482       -6.0430   -6.0316
 3     -2.2341   -2.2363       15.9754   15.9726        1.2458    1.2482
 4      1.2495    1.2482       -0.0000    0.0000       -2.2379   -2.2363
 5     -9.9324   -9.9410        2.2379    2.2363       -0.1881   -0.1917
 6     -1.2458   -1.2482        0.1881    0.1917       -0.0000    0.0000
 Translational dA, IFr= 1:
                x                       y                       z
         lhs       rhs           lhs       rhs           lhs       rhs
 1      0.0000    0.0000        0.5751    0.5751        6.7089    6.7089
 2      3.7446    3.7446        0.0000    0.0000        6.7089    6.7089
 3      3.7446    3.7446        0.5751    0.5751       -0.0000    0.0000
 4      0.5751    0.5751       -3.7446   -3.7446      -18.0947  -18.0947
 5     -6.7089   -6.7089       47.9177   47.9177        3.7446    3.7446
 6    -29.8230  -29.8230        6.7089    6.7089       -0.5751   -0.5751
 Rotational dAlpha, IFr= 1:
                x                       y                       z
         lhs       rhs           lhs       rhs           lhs       rhs
 1      0.0682    0.0000        0.8681    0.7668       -9.0367   -8.9453
 2     -0.7895   -0.7668        4.8893    4.9928       23.9878   24.1263
 3      8.9786    8.9453      -63.9593  -63.8902       -4.9348   -4.9928
 4     -4.9727   -4.9928       -0.0664    0.0000        8.9514    8.9453
 5     39.9507   39.7640       -8.9413   -8.9453        0.6142    0.7668
 6      4.8216    4.9928       -0.8404   -0.7668        0.0364    0.0000
 Rotational dG, IFr= 1:
                x                       y                       z
         lhs       rhs           lhs       rhs           lhs       rhs
 1     -0.1285    0.0000       22.8884   23.0580      -10.0239   -9.8756
 2    -23.0924  -23.0580       40.1815   40.3450       19.0896   19.0601
 3      9.9989    9.8756       10.9162   10.9073      -40.6083  -40.3450
 4    -40.4113  -40.3450        0.1326    0.0000        9.8667    9.8756
 5    -29.7305  -29.9674      -10.0795   -9.8756       23.4223   23.0580
 6     40.6238   40.3450      -23.0511  -23.0580        0.1670    0.0000
 Rotational dA, IFr= 1:
                x                       y                       z
         lhs       rhs           lhs       rhs           lhs       rhs
 1    -18.6069  -18.5102       25.3629   25.4624       17.5126   17.6303
 2    -85.1478  -84.7408       53.8580   53.9397       17.7434   17.6303
 3    -85.1864  -84.7408       25.4100   25.4624       21.0292   21.0604
 4    -28.5420  -28.4772       66.3383   66.2306       28.6205   28.2018
 5      3.4096    3.4301       15.0973   14.8999      -66.1791  -66.2306
 6    -42.7946  -43.1017       -3.5220   -3.4301       28.9988   28.4772
 Full mass-weighted force constant matrix:
 Low frequencies ---   -8.2833   -4.6047   -0.0007   -0.0003    0.0002    4.3005
 Low frequencies ---   79.9287  158.5335  180.6431
 Diagonal vibrational polarizability:
        1.8139426       1.5843026       3.3831176
 Harmonic frequencies (cm**-1), IR intensities (KM/Mole), Raman scattering
 activities (A**4/AMU), depolarization ratios for plane and unpolarized
 incident light, reduced masses (AMU), force constants (mDyne/A),
 Raman invariants Alpha2 = alpha**2, Beta2 = beta(alpha)**2 (A**4/AMU)
 ROA invariants AlphaG = alphaG', Gamma2 = beta(G')**2, Delta2 = beta(A)**2, (10**4 A**5/AMU)
 Far-From-Resonance Raman intensities (K), ROA intensites (10**4 K), CID=(ROA/Raman)*10**4
    Raman1;ROA1;CID1 =ICPu/SCPu(180), Raman2;ROA2;CID2 =ICPd/SCPd(90)
    Raman3;ROA3;CID3 =DCPI(180) RC180 = degree of circularity
 and normal coordinates:
 Incident light (cm**-1):   18796.99
                      1                      2                      3
                      A                      A                      A
 Frequencies --     79.9237               158.5328               180.6427
 Red. masses --      2.6809                 1.6030                 1.3070
 Frc consts  --      0.0101                 0.0237                 0.0251
 IR Inten    --      0.0447                 0.4728                 0.3513
 RamAct Fr= 1--      0.9036                 2.0671                 0.4063
  Dep-P Fr= 1--      0.7438                 0.7436                 0.7353
  Dep-U Fr= 1--      0.8531                 0.8530                 0.8475
 Alpha2 Fr= 1--      0.0001                 0.0002                 0.0001
 Beta2  Fr= 1--      0.1285                 0.2939                 0.0574
 AlphaG Fr= 1--      0.0009                 0.0051                 0.0020
 Gamma2 Fr= 1--     -0.0498                 0.0456                 0.1904
 Delta2 Fr= 1--     -0.0010                -0.0776                 0.0086
 Raman1 Fr= 1--       3.614                  8.268                  1.625
 ROA1   Fr= 1--      -4.808                  1.893                 18.554
 CID1   Fr= 1--      -1.330                  0.229                 11.417
 Raman2 Fr= 1--       1.542                  3.526                  0.689
 ROA2   Fr= 1--      -1.187                  1.715                  4.501
 CID2   Fr= 1--      -0.770                  0.486                  6.536
 Raman3 Fr= 1--       3.083                  7.053                  1.377
 ROA3   Fr= 1--      -4.808                  1.893                 18.554
 CID3   Fr= 1--      -1.559                  0.268                 13.471
 RC180  Fr= 1--       0.706                  0.706                  0.695
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6     0.02   0.03  -0.07    -0.01  -0.02  -0.00     0.00  -0.02  -0.00
     2   6     0.03   0.02  -0.03     0.00  -0.01  -0.03    -0.01  -0.02  -0.01
     3   6    -0.01   0.05  -0.17    -0.03   0.01  -0.08     0.00  -0.02   0.04
     4   6     0.05  -0.00   0.01     0.00  -0.02   0.02     0.01  -0.00   0.03
     5   6     0.12  -0.06   0.20    -0.02  -0.01  -0.04    -0.02   0.04  -0.01
     6   6     0.04   0.00   0.01     0.04  -0.05   0.10     0.02   0.00   0.02
     7   6    -0.00   0.04  -0.11     0.02  -0.03   0.02    -0.00   0.00  -0.06
     8   6    -0.05  -0.00   0.01    -0.01   0.00   0.00    -0.00  -0.00  -0.00
     9   1     0.08   0.03  -0.04     0.03  -0.03   0.02    -0.01  -0.04  -0.00
    10   1     0.10   0.02   0.03    -0.01  -0.01  -0.04     0.01  -0.04  -0.01
    11   1     0.02  -0.12   0.28    -0.14   0.36  -0.14    -0.18   0.46  -0.11
    12   1     0.13  -0.08   0.27     0.09  -0.09   0.28     0.13  -0.05   0.37
    13   1     0.26  -0.03   0.22    -0.03  -0.26  -0.34    -0.03  -0.26  -0.35
    14   1     0.00   0.16  -0.17     0.06  -0.01  -0.01     0.01   0.09  -0.11
    15   1    -0.06  -0.05  -0.20    -0.04  -0.04   0.02    -0.04  -0.06  -0.13
    16   6    -0.14  -0.04  -0.01     0.02   0.15   0.03    -0.02  -0.08  -0.02
    17   6    -0.04  -0.03   0.11    -0.02  -0.06   0.00     0.02   0.09   0.03
    18   1    -0.14  -0.01  -0.06    -0.02  -0.05  -0.01     0.02   0.09   0.02
    19   1    -0.15  -0.08   0.04    -0.13   0.39  -0.08     0.12  -0.26   0.05
    20   1    -0.19  -0.05  -0.04     0.25   0.25   0.20    -0.21  -0.16  -0.13
    21   1     0.05  -0.01   0.14    -0.01  -0.10  -0.00     0.00  -0.02   0.00
    22   1    -0.08  -0.04   0.11    -0.06  -0.06   0.04     0.13   0.16   0.16
    23   1    -0.07  -0.05   0.18     0.01  -0.06  -0.02    -0.05   0.24  -0.06
    24   1    -0.05  -0.07  -0.32    -0.07  -0.07  -0.18     0.02   0.01   0.07
    25   1    -0.03   0.25  -0.23    -0.03   0.13  -0.13    -0.01  -0.05   0.06
    26   1     0.07  -0.03   0.13     0.07  -0.06   0.18     0.02   0.01   0.02
                      4                      5                      6
                      A                      A                      A
 Frequencies --    188.9809               205.9619               236.2658
 Red. masses --      1.3768                 1.2108                 2.2714
 Frc consts  --      0.0290                 0.0303                 0.0747
 IR Inten    --      0.0864                 0.0053                 0.2991
 RamAct Fr= 1--      0.1092                 1.2150                 0.5974
  Dep-P Fr= 1--      0.7450                 0.7499                 0.0154
  Dep-U Fr= 1--      0.8539                 0.8571                 0.0303
 Alpha2 Fr= 1--      0.0000                 0.0000                 0.0128
 Beta2  Fr= 1--      0.0155                 0.1736                 0.0030
 AlphaG Fr= 1--      0.0013                -0.0004                 0.0152
 Gamma2 Fr= 1--     -0.0559                 0.1284                -0.0024
 Delta2 Fr= 1--     -0.0362                 0.0277                -0.0130
 Raman1 Fr= 1--       0.437                  4.860                  2.389
 ROA1   Fr= 1--      -6.525                 13.213                 -0.651
 CID1   Fr= 1--     -14.939                  2.719                 -0.272
 Raman2 Fr= 1--       0.186                  2.083                  0.036
 ROA2   Fr= 1--      -1.051                  2.861                  0.046
 CID2   Fr= 1--      -5.638                  1.374                  1.262
 Raman3 Fr= 1--       0.373                  4.165                  0.072
 ROA3   Fr= 1--      -6.525                 13.213                 -0.651
 CID3   Fr= 1--     -17.496                  3.172                 -9.007
 RC180  Fr= 1--       0.708                  0.714                 -0.939
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6     0.00   0.04   0.01    -0.01  -0.03  -0.00     0.01  -0.02   0.08
     2   6     0.01   0.04   0.01    -0.00  -0.03  -0.01     0.01  -0.02   0.07
     3   6     0.02   0.01   0.01    -0.03   0.00  -0.07    -0.05   0.04  -0.10
     4   6     0.00  -0.01   0.00    -0.01  -0.01  -0.01    -0.04   0.01  -0.01
     5   6     0.02  -0.06  -0.02    -0.01   0.01  -0.01    -0.04   0.01  -0.01
     6   6    -0.02  -0.01  -0.00     0.02  -0.02   0.04    -0.03   0.00  -0.00
     7   6    -0.02   0.02   0.00     0.03  -0.03   0.04    -0.06   0.02  -0.12
     8   6     0.00   0.04   0.01    -0.00  -0.01  -0.00     0.01  -0.01   0.09
     9   1     0.02   0.04   0.02     0.01  -0.03   0.01     0.06  -0.04   0.11
    10   1    -0.01   0.05  -0.00    -0.01  -0.02  -0.02     0.06  -0.03   0.10
    11   1     0.01   0.02  -0.06     0.07  -0.17   0.04    -0.01  -0.04  -0.00
    12   1     0.01  -0.11   0.06    -0.07   0.07  -0.20    -0.05   0.02  -0.07
    13   1     0.05  -0.13  -0.11    -0.05   0.15   0.16    -0.05   0.04   0.03
    14   1    -0.04   0.03   0.01     0.06  -0.08   0.06    -0.11   0.27  -0.23
    15   1    -0.04   0.01   0.00     0.02   0.00   0.09    -0.11  -0.16  -0.33
    16   6     0.01   0.07   0.01     0.01   0.04   0.01     0.18  -0.06   0.13
    17   6    -0.03  -0.12  -0.02     0.01   0.04   0.01    -0.01   0.02  -0.06
    18   1     0.11   0.55   0.11     0.05   0.25   0.05     0.20  -0.05   0.26
    19   1     0.38  -0.26   0.02     0.17  -0.08  -0.01     0.27  -0.10   0.08
    20   1    -0.46  -0.06  -0.09    -0.19  -0.00  -0.01     0.20  -0.08   0.06
    21   1    -0.03  -0.11  -0.02    -0.08  -0.37  -0.07    -0.11   0.13  -0.07
    22   1    -0.17  -0.17  -0.08     0.16   0.18   0.42     0.03  -0.00  -0.20
    23   1     0.07  -0.24  -0.00    -0.04   0.37  -0.31     0.04  -0.03  -0.06
    24   1     0.05   0.02   0.02    -0.08  -0.06  -0.14    -0.18  -0.09  -0.27
    25   1     0.03  -0.01   0.02    -0.03   0.10  -0.11    -0.00   0.26  -0.21
    26   1    -0.03  -0.02  -0.01     0.04  -0.03   0.08    -0.02   0.00   0.02
                      7                      8                      9
                      A                      A                      A
 Frequencies --    251.6382               270.7465               339.1865
 Red. masses --      1.5944                 1.8233                 2.5521
 Frc consts  --      0.0595                 0.0787                 0.1730
 IR Inten    --      0.9087                 1.7147                 0.1342
 RamAct Fr= 1--      0.6577                 0.5506                 1.8980
  Dep-P Fr= 1--      0.7234                 0.7361                 0.4453
  Dep-U Fr= 1--      0.8395                 0.8480                 0.6162
 Alpha2 Fr= 1--      0.0003                 0.0001                 0.0119
 Beta2  Fr= 1--      0.0920                 0.0778                 0.1949
 AlphaG Fr= 1--     -0.0018                -0.0050                 0.0016
 Gamma2 Fr= 1--     -0.0544                -0.3988                -0.1287
 Delta2 Fr= 1--      0.1199                -0.0822                 0.0029
 Raman1 Fr= 1--       2.631                  2.202                  7.592
 ROA1   Fr= 1--      -1.383                -40.918                -12.268
 CID1   Fr= 1--      -0.526                -18.580                 -1.616
 Raman2 Fr= 1--       1.104                  0.934                  2.339
 ROA2   Fr= 1--      -2.264                 -8.914                 -3.113
 CID2   Fr= 1--      -2.051                 -9.547                 -1.331
 Raman3 Fr= 1--       2.208                  1.867                  4.678
 ROA3   Fr= 1--      -1.383                -40.918                -12.268
 CID3   Fr= 1--      -0.626                -21.912                 -2.622
 RC180  Fr= 1--       0.679                  0.696                  0.232
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6     0.00  -0.04  -0.01    -0.00   0.05  -0.01    -0.02  -0.09   0.05
     2   6    -0.02  -0.03  -0.06     0.00   0.04  -0.00    -0.01  -0.08   0.00
     3   6    -0.01  -0.03  -0.01     0.04   0.02   0.07    -0.03   0.03   0.03
     4   6     0.02  -0.03   0.05     0.04   0.00   0.09     0.05   0.09   0.02
     5   6    -0.04   0.06  -0.04     0.02  -0.04  -0.10     0.13  -0.10  -0.07
     6   6     0.06  -0.05   0.13     0.04  -0.01   0.13     0.04   0.09   0.01
     7   6     0.02  -0.03  -0.02    -0.03   0.06  -0.08     0.09   0.01   0.01
     8   6    -0.01   0.01  -0.02    -0.01   0.02  -0.01    -0.07  -0.06   0.06
     9   1     0.00  -0.06  -0.01    -0.02   0.04  -0.01    -0.00  -0.15   0.09
    10   1    -0.03  -0.04  -0.07     0.02   0.03   0.01     0.05  -0.12   0.02
    11   1     0.09  -0.06  -0.05     0.24  -0.13  -0.17     0.27  -0.13  -0.13
    12   1    -0.07   0.16  -0.28    -0.11  -0.04  -0.31    -0.04  -0.28  -0.05
    13   1    -0.20   0.17   0.11    -0.09   0.02  -0.02     0.27  -0.15  -0.14
    14   1     0.10   0.06  -0.10     0.01   0.32  -0.24     0.15  -0.06   0.03
    15   1    -0.10  -0.09  -0.07    -0.19  -0.13  -0.28     0.17   0.05   0.05
    16   6    -0.03   0.03  -0.02    -0.04  -0.05  -0.02    -0.10   0.02   0.07
    17   6     0.02   0.07   0.03    -0.03  -0.07  -0.01    -0.09   0.09  -0.13
    18   1     0.01   0.21  -0.00    -0.07  -0.22  -0.06    -0.10   0.09   0.01
    19   1     0.10  -0.09  -0.02    -0.17   0.03   0.02    -0.10   0.02   0.06
    20   1    -0.21  -0.01  -0.05     0.12  -0.02  -0.03    -0.18   0.02   0.13
    21   1     0.14   0.47   0.12    -0.09  -0.35  -0.07    -0.29   0.26  -0.15
    22   1    -0.02  -0.02  -0.32    -0.07  -0.02   0.23     0.07   0.08  -0.32
    23   1    -0.05  -0.16   0.36     0.03   0.04  -0.22    -0.07   0.09  -0.16
    24   1    -0.02  -0.06  -0.05     0.11   0.05   0.11    -0.12   0.02   0.02
    25   1    -0.03   0.03  -0.02    -0.00  -0.04   0.12    -0.07   0.08   0.03
    26   1     0.09  -0.06   0.18     0.04  -0.02   0.15     0.06   0.11   0.00
                     10                     11                     12
                      A                      A                      A
 Frequencies --    351.7100               408.5685               430.4584
 Red. masses --      2.5746                 2.8090                 2.0125
 Frc consts  --      0.1876                 0.2763                 0.2197
 IR Inten    --      0.1304                 1.1043                 2.4950
 RamAct Fr= 1--      1.1192                 2.2821                 1.2154
  Dep-P Fr= 1--      0.1789                 0.4658                 0.6803
  Dep-U Fr= 1--      0.3034                 0.6356                 0.8097
 Alpha2 Fr= 1--      0.0161                 0.0131                 0.0015
 Beta2  Fr= 1--      0.0566                 0.2418                 0.1640
 AlphaG Fr= 1--      0.0105                -0.0053                 0.0042
 Gamma2 Fr= 1--      0.1244                 0.0200                -0.1921
 Delta2 Fr= 1--     -0.1478                 0.1186                -0.1293
 Raman1 Fr= 1--       4.477                  9.129                  4.862
 ROA1   Fr= 1--       7.214                  5.717                -22.580
 CID1   Fr= 1--       1.611                  0.626                 -4.644
 Raman2 Fr= 1--       0.679                  2.901                  1.968
 ROA2   Fr= 1--       4.169                 -0.469                 -3.575
 CID2   Fr= 1--       6.138                 -0.162                 -1.817
 Raman3 Fr= 1--       1.358                  5.802                  3.937
 ROA3   Fr= 1--       7.214                  5.717                -22.580
 CID3   Fr= 1--       5.311                  0.985                 -5.736
 RC180  Fr= 1--      -0.393                  0.271                  0.619
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6    -0.04  -0.03  -0.03     0.07   0.00   0.07     0.01  -0.02   0.04
     2   6    -0.02  -0.04  -0.07     0.10  -0.02   0.06    -0.04   0.01  -0.06
     3   6    -0.09   0.10   0.03    -0.02   0.09   0.02     0.01  -0.01  -0.00
     4   6    -0.08   0.11   0.05    -0.10   0.01   0.07     0.10  -0.06   0.22
     5   6     0.00  -0.14  -0.04    -0.11  -0.05   0.03     0.02   0.02  -0.01
     6   6    -0.06   0.11   0.03    -0.07   0.01   0.01    -0.04   0.03  -0.11
     7   6     0.01  -0.00  -0.01    -0.01  -0.06  -0.02    -0.01   0.01   0.01
     8   6     0.03  -0.04  -0.07     0.16  -0.02   0.02    -0.00   0.06  -0.00
     9   1    -0.13  -0.05  -0.06     0.00  -0.00   0.04     0.03  -0.06   0.06
    10   1    -0.06  -0.06  -0.12     0.05   0.01   0.04    -0.08  -0.01  -0.10
    11   1     0.16  -0.18  -0.10    -0.08  -0.03   0.00     0.18   0.14  -0.15
    12   1    -0.20  -0.33  -0.02    -0.15  -0.07   0.02    -0.00   0.07  -0.12
    13   1     0.16  -0.18  -0.11    -0.12  -0.06   0.01    -0.23  -0.04  -0.06
    14   1     0.08  -0.05  -0.02    -0.08   0.07  -0.06    -0.02  -0.19   0.12
    15   1     0.06   0.03   0.01     0.00  -0.14  -0.12     0.08   0.15   0.16
    16   6     0.12  -0.01  -0.06    -0.14   0.04  -0.06     0.00  -0.02  -0.01
    17   6     0.09  -0.02   0.15     0.18  -0.01  -0.10    -0.02  -0.01   0.01
    18   1     0.14   0.00   0.04    -0.19   0.10  -0.41    -0.01  -0.10   0.00
    19   1     0.19  -0.01  -0.12    -0.33   0.05   0.10    -0.03  -0.07   0.05
    20   1     0.14  -0.01  -0.07    -0.31   0.04   0.06     0.05  -0.04  -0.12
    21   1     0.34   0.01   0.21     0.05   0.02  -0.12    -0.00  -0.06   0.01
    22   1     0.05  -0.01   0.20     0.23  -0.02  -0.16    -0.10  -0.02   0.04
    23   1    -0.07  -0.02   0.32     0.24  -0.01  -0.16     0.03  -0.05  -0.00
    24   1    -0.15   0.09   0.01    -0.09  -0.03  -0.13    -0.04  -0.29  -0.37
    25   1    -0.14   0.14   0.03     0.03   0.25  -0.07    -0.10   0.43  -0.14
    26   1    -0.02   0.16   0.03    -0.03   0.09  -0.04    -0.13   0.07  -0.34
                     13                     14                     15
                      A                      A                      A
 Frequencies --    465.2975               509.7347               580.4267
 Red. masses --      2.3762                 4.0923                 4.0635
 Frc consts  --      0.3031                 0.6265                 0.8066
 IR Inten    --      0.8969                 0.5477                 0.3997
 RamAct Fr= 1--      0.2036                 2.1061                 3.4767
  Dep-P Fr= 1--      0.7149                 0.6680                 0.5124
  Dep-U Fr= 1--      0.8338                 0.8010                 0.6776
 Alpha2 Fr= 1--      0.0001                 0.0031                 0.0162
 Beta2  Fr= 1--      0.0283                 0.2811                 0.3926
 AlphaG Fr= 1--      0.0003                -0.0019                -0.0130
 Gamma2 Fr= 1--      0.0280                 0.1176                -0.4565
 Delta2 Fr= 1--      0.1007                 0.0116                 0.0963
 Raman1 Fr= 1--       0.814                  8.424                 13.907
 ROA1   Fr= 1--       5.913                 11.657                -40.743
 CID1   Fr= 1--       7.260                  1.384                 -2.930
 Raman2 Fr= 1--       0.340                  3.374                  4.711
 ROA2   Fr= 1--      -0.133                  2.729                -11.727
 CID2   Fr= 1--      -0.392                  0.809                 -2.489
 Raman3 Fr= 1--       0.679                  6.748                  9.423
 ROA3   Fr= 1--       5.913                 11.657                -40.743
 CID3   Fr= 1--       8.707                  1.728                 -4.324
 RC180  Fr= 1--       0.668                  0.602                  0.355
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6     0.06  -0.07   0.14    -0.03   0.13  -0.03    -0.20   0.03   0.16
     2   6    -0.06   0.01  -0.15     0.21   0.08  -0.10     0.01   0.08   0.12
     3   6    -0.01   0.01  -0.01    -0.03   0.06   0.03    -0.18  -0.19  -0.00
     4   6    -0.04   0.05  -0.12    -0.12  -0.06   0.07     0.01  -0.06  -0.04
     5   6     0.00  -0.00   0.00    -0.20  -0.13   0.03     0.00  -0.05  -0.01
     6   6     0.01  -0.00   0.07     0.12  -0.08  -0.07     0.17  -0.05  -0.08
     7   6    -0.00  -0.01   0.00     0.21  -0.07  -0.06     0.11   0.21   0.03
     8   6     0.05   0.20   0.05    -0.06   0.09   0.04     0.04   0.04  -0.03
     9   1     0.13  -0.21   0.24     0.00  -0.06   0.07    -0.27   0.24   0.03
    10   1    -0.17  -0.04  -0.28     0.33   0.05  -0.01    -0.12  -0.15  -0.15
    11   1    -0.08  -0.06   0.07    -0.13  -0.12  -0.01     0.03  -0.08  -0.02
    12   1     0.01  -0.03   0.07    -0.26  -0.16   0.01    -0.05  -0.11   0.01
    13   1     0.14   0.02   0.02    -0.21  -0.14   0.02     0.09  -0.06  -0.04
    14   1     0.12  -0.15   0.03     0.18  -0.22   0.03    -0.04   0.38  -0.00
    15   1    -0.05   0.09   0.14     0.16   0.05   0.10     0.04   0.07  -0.13
    16   6    -0.01  -0.05  -0.01     0.01  -0.03   0.06     0.00   0.01  -0.08
    17   6     0.01  -0.02  -0.01    -0.12   0.05   0.01     0.08  -0.00   0.00
    18   1    -0.05  -0.23  -0.06     0.02  -0.14   0.19    -0.02  -0.01  -0.18
    19   1    -0.14  -0.21   0.27     0.04  -0.09   0.10    -0.07  -0.02   0.01
    20   1     0.04  -0.13  -0.31     0.12  -0.05  -0.12    -0.03  -0.01  -0.13
    21   1    -0.03  -0.12  -0.03    -0.17   0.08   0.00     0.16   0.00   0.02
    22   1    -0.21  -0.07   0.02    -0.11   0.05  -0.03     0.06   0.00   0.04
    23   1     0.20  -0.13  -0.08    -0.09   0.05  -0.01     0.02   0.00   0.06
    24   1    -0.18   0.02   0.03     0.16   0.09   0.04    -0.29  -0.28  -0.12
    25   1     0.13   0.00  -0.07    -0.02  -0.04   0.06    -0.10  -0.01  -0.12
    26   1     0.06  -0.04   0.22     0.25   0.09  -0.09     0.12  -0.10  -0.09
                     16                     17                     18
                      A                      A                      A
 Frequencies --    686.5165               724.3458               772.3555
 Red. masses --      3.1662                 4.1366                 2.8073
 Frc consts  --      0.8792                 1.2787                 0.9867
 IR Inten    --      0.1763                 1.4356                 2.2058
 RamAct Fr= 1--      9.8215                15.1240                 6.9728
  Dep-P Fr= 1--      0.1637                 0.0782                 0.4818
  Dep-U Fr= 1--      0.2814                 0.1451                 0.6503
 Alpha2 Fr= 1--      0.1466                 0.2792                 0.0374
 Beta2  Fr= 1--      0.4606                 0.3657                 0.7558
 AlphaG Fr= 1--      0.0679                 0.1649                -0.1643
 Gamma2 Fr= 1--     -0.8222                -0.8759                 1.4049
 Delta2 Fr= 1--     -0.3458                -0.9424                 1.2534
 Raman1 Fr= 1--      39.286                 60.496                 27.891
 ROA1   Fr= 1--     -89.992               -114.241                174.974
 CID1   Fr= 1--      -2.291                 -1.888                  6.273
 Raman2 Fr= 1--       5.528                  4.388                  9.069
 ROA2   Fr= 1--     -16.966                -13.482                 23.690
 CID2   Fr= 1--      -3.069                 -3.072                  2.612
 Raman3 Fr= 1--      11.055                  8.777                 18.138
 ROA3   Fr= 1--     -89.992               -114.241                174.974
 CID3   Fr= 1--      -8.140                -13.016                  9.647
 RC180  Fr= 1--      -0.437                 -0.710                  0.301
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6    -0.11   0.13  -0.10     0.17  -0.15  -0.04    -0.01   0.07   0.20
     2   6    -0.10  -0.01  -0.14    -0.04   0.04  -0.05     0.02   0.10  -0.13
     3   6    -0.05  -0.01  -0.04     0.11  -0.12  -0.07     0.05   0.13   0.08
     4   6     0.02  -0.02   0.02    -0.02   0.02   0.02     0.00  -0.05  -0.05
     5   6     0.02   0.00  -0.00    -0.21  -0.09   0.05     0.03   0.00  -0.01
     6   6     0.02  -0.01  -0.01    -0.02   0.11   0.04     0.01  -0.08  -0.01
     7   6    -0.02   0.05  -0.05     0.03   0.33   0.02    -0.05   0.05  -0.03
     8   6     0.04  -0.03   0.06    -0.03  -0.09  -0.02    -0.04  -0.19  -0.04
     9   1    -0.14   0.18  -0.14     0.27  -0.13  -0.01    -0.11  -0.10   0.24
    10   1    -0.14  -0.06  -0.21     0.09  -0.03   0.01     0.00  -0.04  -0.24
    11   1     0.08   0.03  -0.05    -0.19  -0.07   0.03    -0.07   0.03   0.03
    12   1    -0.00   0.01  -0.05    -0.25  -0.10   0.02     0.15   0.11  -0.02
    13   1    -0.06  -0.02  -0.01    -0.26  -0.10   0.05    -0.02   0.04   0.03
    14   1     0.09  -0.20   0.03     0.13   0.14   0.08    -0.09  -0.13   0.07
    15   1    -0.00   0.21   0.15     0.09   0.43   0.13    -0.14   0.20   0.17
    16   6    -0.05  -0.04   0.25    -0.01  -0.02   0.02    -0.00  -0.04  -0.03
    17   6     0.20  -0.04  -0.03     0.00  -0.02  -0.01    -0.02  -0.04  -0.01
    18   1    -0.06  -0.03   0.20     0.01   0.06   0.05     0.01   0.04  -0.03
    19   1    -0.10  -0.04   0.30     0.05   0.06  -0.12     0.04   0.07  -0.18
    20   1    -0.09  -0.04   0.30    -0.01   0.02   0.17    -0.02   0.02   0.16
    21   1     0.10  -0.00  -0.05    -0.03   0.01  -0.01     0.03   0.13   0.03
    22   1     0.28  -0.03  -0.10     0.07  -0.01  -0.03     0.33   0.05  -0.02
    23   1     0.26  -0.03  -0.09    -0.03   0.02  -0.02    -0.31   0.16   0.08
    24   1     0.15   0.09   0.07     0.10  -0.10  -0.03    -0.03   0.02  -0.06
    25   1    -0.12  -0.19   0.06     0.14  -0.15  -0.06     0.25   0.26  -0.07
    26   1     0.04  -0.07   0.12    -0.05  -0.02   0.20     0.03  -0.18   0.17
                     19                     20                     21
                      A                      A                      A
 Frequencies --    805.5720               835.8320               917.7812
 Red. masses --      1.5377                 1.8369                 2.9519
 Frc consts  --      0.5880                 0.7561                 1.4650
 IR Inten    --     12.4185                 0.2313                 2.0172
 RamAct Fr= 1--      2.2042                 5.9946                 0.6840
  Dep-P Fr= 1--      0.5241                 0.0732                 0.4678
  Dep-U Fr= 1--      0.6878                 0.1365                 0.6374
 Alpha2 Fr= 1--      0.0097                 0.1120                 0.0039
 Beta2  Fr= 1--      0.2527                 0.1364                 0.0727
 AlphaG Fr= 1--      0.0808                -0.2560                 0.0073
 Gamma2 Fr= 1--      3.6530                -1.6585                -0.8203
 Delta2 Fr= 1--      1.8039                -1.0342                -0.5346
 Raman1 Fr= 1--       8.817                 23.978                  2.736
 ROA1   Fr= 1--     408.413               -192.314                -95.861
 CID1   Fr= 1--      46.322                 -8.020                -35.039
 Raman2 Fr= 1--       3.032                  1.636                  0.872
 ROA2   Fr= 1--      73.240                -31.531                -15.411
 CID2   Fr= 1--      24.157                -19.269                -17.674
 Raman3 Fr= 1--       6.064                  3.273                  1.744
 ROA3   Fr= 1--     408.413               -192.314                -95.861
 CID3   Fr= 1--      67.353                -58.761                -54.969
 RC180  Fr= 1--       0.376                 -0.727                  0.275
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6     0.00  -0.05  -0.01    -0.01   0.06   0.05     0.04  -0.13  -0.08
     2   6     0.11   0.05   0.03    -0.13  -0.10   0.08    -0.11  -0.02   0.06
     3   6    -0.10  -0.03  -0.03     0.08   0.05  -0.02    -0.04   0.21   0.10
     4   6     0.01  -0.01   0.04     0.01   0.00   0.01     0.02  -0.04  -0.03
     5   6     0.06   0.02   0.01    -0.04  -0.03   0.03    -0.02  -0.05  -0.01
     6   6    -0.05   0.00  -0.05     0.03   0.03  -0.08     0.18  -0.12  -0.08
     7   6    -0.06   0.02  -0.05     0.03  -0.03  -0.06    -0.04   0.08   0.01
     8   6    -0.00   0.02   0.01     0.03   0.00   0.03    -0.03   0.04  -0.02
     9   1     0.07  -0.20   0.09    -0.07   0.36  -0.12    -0.12  -0.27  -0.10
    10   1     0.22   0.10   0.16    -0.23  -0.22  -0.08     0.13   0.09   0.36
    11   1     0.23   0.11  -0.12     0.05   0.06  -0.06    -0.14  -0.01   0.04
    12   1    -0.01   0.03  -0.12    -0.07   0.01  -0.08     0.12   0.08  -0.01
    13   1    -0.12  -0.05  -0.05    -0.21  -0.07  -0.00    -0.08   0.00   0.05
    14   1    -0.20  -0.21   0.12     0.00  -0.14   0.01    -0.12   0.01   0.08
    15   1     0.08   0.19   0.13     0.27   0.03  -0.04    -0.12   0.11   0.07
    16   6     0.01   0.01  -0.02     0.02   0.00  -0.06    -0.02  -0.02   0.02
    17   6     0.01   0.00  -0.00    -0.04   0.02   0.02     0.06   0.04  -0.02
    18   1     0.00  -0.01  -0.05     0.02   0.04  -0.11     0.00   0.05   0.10
    19   1    -0.01  -0.01   0.01     0.00   0.03  -0.06     0.04   0.05  -0.10
    20   1     0.00  -0.00  -0.06    -0.01   0.01  -0.01     0.00   0.02   0.11
    21   1     0.01   0.00  -0.00    -0.08  -0.02   0.01     0.15  -0.15  -0.03
    22   1     0.01  -0.00  -0.00    -0.12  -0.01   0.01    -0.25  -0.03   0.05
    23   1     0.01   0.00  -0.00     0.03  -0.03  -0.01     0.23  -0.14  -0.01
    24   1    -0.10   0.10   0.15     0.09   0.08   0.01    -0.21   0.16   0.06
    25   1    -0.12  -0.22   0.06     0.20  -0.01  -0.05    -0.15   0.27   0.12
    26   1     0.15  -0.19   0.61     0.28  -0.10   0.56     0.15  -0.18  -0.06
                     22                     23                     24
                      A                      A                      A
 Frequencies --    937.4637               953.4522               962.3729
 Red. masses --      1.8776                 1.7582                 1.7249
 Frc consts  --      0.9722                 0.9417                 0.9412
 IR Inten    --      1.2735                 3.2078                 3.5145
 RamAct Fr= 1--      0.5858                 2.7842                 5.4835
  Dep-P Fr= 1--      0.6030                 0.5211                 0.7479
  Dep-U Fr= 1--      0.7524                 0.6852                 0.8558
 Alpha2 Fr= 1--      0.0016                 0.0124                 0.0002
 Beta2  Fr= 1--      0.0735                 0.3179                 0.7821
 AlphaG Fr= 1--      0.0176                 0.0760                 0.0062
 Gamma2 Fr= 1--      0.3281                -0.5325                 0.7986
 Delta2 Fr= 1--      0.0909                -0.5562                 0.4087
 Raman1 Fr= 1--       2.343                 11.137                 21.934
 ROA1   Fr= 1--      34.403                -68.921                 89.743
 CID1   Fr= 1--      14.681                 -6.189                  4.092
 Raman2 Fr= 1--       0.882                  3.815                  9.385
 ROA2   Fr= 1--       7.147                 -8.332                 15.897
 CID2   Fr= 1--       8.107                 -2.184                  1.694
 Raman3 Fr= 1--       1.763                  7.631                 18.771
 ROA3   Fr= 1--      34.403                -68.921                 89.743
 CID3   Fr= 1--      19.513                 -9.032                  4.781
 RC180  Fr= 1--       0.505                  0.370                  0.712
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6    -0.07  -0.01  -0.00    -0.03  -0.03  -0.06     0.03  -0.06   0.02
     2   6     0.04  -0.09  -0.01     0.10  -0.01   0.01     0.01   0.05  -0.01
     3   6    -0.02   0.12  -0.07     0.04  -0.03   0.13     0.01   0.04  -0.04
     4   6     0.05  -0.07  -0.00    -0.00  -0.02  -0.05     0.01   0.01   0.02
     5   6     0.03  -0.07  -0.01     0.02  -0.02  -0.04    -0.01  -0.01   0.04
     6   6    -0.10  -0.01   0.02    -0.12   0.02   0.00     0.01   0.02  -0.10
     7   6     0.06   0.09   0.05     0.05   0.02  -0.00     0.02  -0.05   0.13
     8   6     0.03   0.02   0.04     0.01   0.04  -0.06    -0.03   0.01  -0.08
     9   1    -0.00  -0.18   0.11    -0.27   0.15  -0.26     0.08  -0.03   0.03
    10   1     0.00  -0.20  -0.12     0.03  -0.12  -0.13    -0.31   0.08  -0.29
    11   1    -0.18   0.10   0.02    -0.23  -0.02   0.09     0.12   0.07  -0.07
    12   1     0.35   0.26  -0.09     0.22   0.13   0.01    -0.08  -0.02  -0.06
    13   1    -0.32   0.01   0.12     0.00   0.07   0.07    -0.14  -0.07  -0.02
    14   1     0.14   0.19  -0.03     0.04   0.04  -0.01    -0.17   0.39  -0.03
    15   1     0.13  -0.02  -0.10     0.16  -0.01  -0.06    -0.08  -0.34  -0.22
    16   6     0.03   0.03  -0.03    -0.04  -0.00   0.07    -0.05   0.01   0.08
    17   6    -0.02  -0.01   0.02    -0.01   0.03  -0.02     0.01  -0.03  -0.06
    18   1    -0.00  -0.04  -0.13    -0.02  -0.04   0.19    -0.04  -0.08   0.22
    19   1    -0.06  -0.06   0.15     0.02  -0.02   0.05     0.02  -0.06   0.09
    20   1    -0.00  -0.02  -0.17     0.04  -0.01   0.00     0.04  -0.02  -0.07
    21   1    -0.10   0.06   0.01     0.08  -0.05  -0.01     0.27   0.02   0.01
    22   1     0.07   0.00  -0.03    -0.15   0.01   0.04     0.08   0.03   0.08
    23   1    -0.02   0.03  -0.01     0.01  -0.04   0.03    -0.24   0.06   0.10
    24   1     0.11   0.28   0.15    -0.18  -0.29  -0.20     0.01   0.14   0.09
    25   1    -0.10  -0.19   0.09     0.03   0.38  -0.04     0.03  -0.11   0.01
    26   1    -0.28  -0.14  -0.13    -0.03  -0.15   0.41     0.14  -0.02   0.19
                     25                     26                     27
                      A                      A                      A
 Frequencies --    975.4490               996.2290              1017.0045
 Red. masses --      1.3716                 1.5196                 1.7075
 Frc consts  --      0.7689                 0.8886                 1.0406
 IR Inten    --      3.1744                 3.8415                 2.2438
 RamAct Fr= 1--      1.4556                 1.3504                 4.3308
  Dep-P Fr= 1--      0.7431                 0.5768                 0.5516
  Dep-U Fr= 1--      0.8526                 0.7316                 0.7110
 Alpha2 Fr= 1--      0.0002                 0.0044                 0.0164
 Beta2  Fr= 1--      0.2068                 0.1647                 0.5132
 AlphaG Fr= 1--     -0.0019                 0.0175                 0.1084
 Gamma2 Fr= 1--      0.3674                 0.2919                -3.7663
 Delta2 Fr= 1--     -0.0078                 0.3007                -1.2550
 Raman1 Fr= 1--       5.822                  5.402                 17.323
 ROA1   Fr= 1--      35.020                 37.646               -401.726
 CID1   Fr= 1--       6.015                  6.969                -23.190
 Raman2 Fr= 1--       2.482                  1.976                  6.158
 ROA2   Fr= 1--       8.880                  4.601                -80.351
 CID2   Fr= 1--       3.578                  2.329                -13.047
 Raman3 Fr= 1--       4.964                  3.952                 12.317
 ROA3   Fr= 1--      35.020                 37.646               -401.726
 CID3   Fr= 1--       7.054                  9.526                -32.616
 RC180  Fr= 1--       0.705                  0.463                  0.422
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6    -0.00  -0.00   0.01    -0.08   0.07   0.03    -0.01   0.05  -0.08
     2   6    -0.00   0.00   0.01    -0.07  -0.02   0.02    -0.04  -0.03  -0.08
     3   6     0.01   0.00   0.01     0.05  -0.03   0.00    -0.00  -0.02   0.07
     4   6     0.00   0.00  -0.00     0.02   0.00  -0.01    -0.00  -0.01   0.01
     5   6    -0.00  -0.00  -0.00    -0.01  -0.02  -0.01    -0.02   0.04  -0.02
     6   6    -0.01   0.01  -0.01    -0.02   0.05   0.00     0.00   0.00  -0.10
     7   6     0.01  -0.01   0.01     0.03  -0.03  -0.01    -0.00   0.02   0.11
     8   6    -0.07   0.01   0.03    -0.08   0.02  -0.00     0.05  -0.02   0.05
     9   1     0.01   0.02   0.01     0.14  -0.38   0.35     0.08  -0.29   0.11
    10   1    -0.01  -0.02  -0.02     0.24   0.16   0.43     0.05   0.14   0.11
    11   1    -0.01   0.00   0.00    -0.11  -0.02   0.04    -0.02  -0.10   0.04
    12   1     0.01   0.01  -0.00     0.06   0.04   0.01    -0.11  -0.10   0.08
    13   1    -0.01   0.00   0.00    -0.03   0.02   0.04     0.23   0.04  -0.04
    14   1    -0.01   0.03  -0.01     0.17  -0.02  -0.07    -0.00   0.28  -0.03
    15   1     0.01  -0.04  -0.03     0.14  -0.05  -0.07    -0.12  -0.18  -0.12
    16   6    -0.09   0.03  -0.07    -0.01   0.02  -0.01     0.07   0.01  -0.02
    17   6     0.09  -0.03   0.06     0.07  -0.01  -0.08    -0.03  -0.03   0.07
    18   1    -0.00  -0.10   0.50    -0.01  -0.03   0.06     0.02   0.01  -0.29
    19   1     0.26  -0.04  -0.30     0.01  -0.02   0.01    -0.11  -0.02   0.17
    20   1     0.28   0.04  -0.30     0.02   0.00  -0.08    -0.09  -0.02  -0.01
    21   1    -0.35   0.08  -0.02     0.42  -0.06  -0.01    -0.34   0.11   0.02
    22   1     0.28  -0.05  -0.21     0.02   0.02   0.12     0.18  -0.01  -0.12
    23   1     0.28   0.02  -0.20    -0.09  -0.02   0.12     0.05   0.05  -0.10
    24   1    -0.01  -0.01  -0.01     0.16  -0.09  -0.09     0.07  -0.15  -0.13
    25   1     0.02   0.02  -0.01     0.11   0.04  -0.05    -0.09   0.18   0.02
    26   1     0.02  -0.00   0.05     0.03   0.02   0.13     0.10  -0.18   0.34
                     28                     29                     30
                      A                      A                      A
 Frequencies --   1034.6888              1056.4474              1074.6046
 Red. masses --      1.5421                 1.5889                 1.4831
 Frc consts  --      0.9727                 1.0448                 1.0090
 IR Inten    --      0.2628                 1.8168                 0.2871
 RamAct Fr= 1--      1.3846                 3.9931                 1.4099
  Dep-P Fr= 1--      0.4597                 0.2330                 0.5785
  Dep-U Fr= 1--      0.6299                 0.3780                 0.7330
 Alpha2 Fr= 1--      0.0082                 0.0496                 0.0045
 Beta2  Fr= 1--      0.1454                 0.2516                 0.1722
 AlphaG Fr= 1--      0.0059                 0.0124                -0.0513
 Gamma2 Fr= 1--     -0.7144                -0.5579                 2.0001
 Delta2 Fr= 1--     -0.3673                -0.3024                 0.8617
 Raman1 Fr= 1--       5.538                 15.972                  5.640
 ROA1   Fr= 1--     -80.335                -63.236                219.587
 CID1   Fr= 1--     -14.505                 -3.959                 38.935
 Raman2 Fr= 1--       1.744                  3.019                  2.067
 ROA2   Fr= 1--     -14.207                -10.970                 41.110
 CID2   Fr= 1--      -8.145                 -3.634                 19.889
 Raman3 Fr= 1--       3.488                  6.037                  4.134
 ROA3   Fr= 1--     -80.335                -63.236                219.587
 CID3   Fr= 1--     -23.028                -10.474                 53.118
 RC180  Fr= 1--       0.260                 -0.244                  0.466
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6     0.02   0.03   0.05    -0.04   0.00   0.00    -0.00  -0.01   0.02
     2   6    -0.02   0.04  -0.08     0.05  -0.08   0.00     0.02   0.01   0.03
     3   6    -0.05  -0.02  -0.02     0.05   0.05  -0.02    -0.01   0.02  -0.06
     4   6    -0.01  -0.01   0.00    -0.05  -0.04  -0.00     0.04  -0.03   0.12
     5   6     0.04  -0.02   0.01    -0.00   0.12   0.04    -0.04   0.03  -0.13
     6   6    -0.05   0.02  -0.03    -0.05  -0.08  -0.00    -0.00   0.01  -0.02
     7   6     0.06  -0.03   0.06     0.02   0.07   0.02    -0.01  -0.00  -0.02
     8   6     0.00  -0.01   0.00    -0.01   0.01  -0.00    -0.01   0.00   0.00
     9   1     0.01  -0.01   0.07    -0.10  -0.17   0.05     0.11  -0.04   0.10
    10   1     0.07   0.10   0.05     0.08  -0.27  -0.10    -0.16  -0.10  -0.21
    11   1     0.04   0.09  -0.04     0.39  -0.03  -0.09    -0.41  -0.30   0.22
    12   1     0.11   0.09  -0.07    -0.40  -0.25   0.05     0.10  -0.05   0.25
    13   1    -0.15  -0.03   0.02     0.28  -0.05  -0.18     0.47   0.23   0.07
    14   1     0.15   0.17  -0.09     0.01   0.06   0.02    -0.08  -0.04   0.03
    15   1    -0.03  -0.17  -0.10     0.04   0.03  -0.02     0.03   0.03   0.02
    16   6    -0.01  -0.11  -0.02    -0.03  -0.01  -0.00    -0.02  -0.03  -0.01
    17   6     0.02   0.08   0.03     0.01   0.05  -0.02     0.01   0.02  -0.01
    18   1     0.05   0.20   0.00    -0.00   0.01   0.11     0.01   0.05   0.04
    19   1     0.07   0.19  -0.40     0.05   0.01  -0.09     0.03   0.05  -0.13
    20   1    -0.04   0.04   0.47     0.04   0.01   0.01     0.01   0.01   0.10
    21   1    -0.07  -0.15  -0.03     0.13  -0.09  -0.02     0.06  -0.04  -0.01
    22   1    -0.34  -0.03  -0.01    -0.21   0.00   0.05    -0.10   0.00   0.03
    23   1     0.34  -0.16  -0.06     0.10  -0.09   0.03     0.04  -0.04   0.01
    24   1    -0.06   0.02   0.05     0.21   0.03  -0.06     0.18   0.10   0.04
    25   1     0.02  -0.08  -0.02     0.20  -0.02  -0.06    -0.16  -0.13   0.08
    26   1    -0.02   0.01   0.05    -0.21  -0.25  -0.03     0.08  -0.01   0.15
                     31                     32                     33
                      A                      A                      A
 Frequencies --   1101.9875              1126.9741              1167.7442
 Red. masses --      1.6220                 1.5320                 2.1875
 Frc consts  --      1.1605                 1.1464                 1.7575
 IR Inten    --      1.2348                 0.9867                 1.9822
 RamAct Fr= 1--      2.9615                 2.4703                 3.2117
  Dep-P Fr= 1--      0.5382                 0.6138                 0.7410
  Dep-U Fr= 1--      0.6998                 0.7607                 0.8513
 Alpha2 Fr= 1--      0.0121                 0.0062                 0.0005
 Beta2  Fr= 1--      0.3454                 0.3132                 0.4557
 AlphaG Fr= 1--      0.0215                 0.0064                 0.0037
 Gamma2 Fr= 1--     -0.1353                 0.0130                -3.2841
 Delta2 Fr= 1--      0.2118                -0.2361                -1.1229
 Raman1 Fr= 1--      11.846                  9.881                 12.847
 ROA1   Fr= 1--      -6.212                 -6.303               -351.212
 CID1   Fr= 1--      -0.524                 -0.638                -27.338
 Raman2 Fr= 1--       4.145                  3.758                  5.468
 ROA2   Fr= 1--      -4.941                  2.202                -69.836
 CID2   Fr= 1--      -1.192                  0.586                -12.772
 Raman3 Fr= 1--       8.290                  7.517                 10.936
 ROA3   Fr= 1--      -6.212                 -6.303               -351.212
 CID3   Fr= 1--      -0.749                 -0.839                -32.115
 RC180  Fr= 1--       0.400                  0.521                  0.703
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6     0.11  -0.02   0.07     0.07   0.05  -0.06    -0.09  -0.07   0.03
     2   6    -0.08   0.01  -0.06    -0.03   0.01   0.07     0.04   0.00  -0.02
     3   6    -0.06   0.02  -0.01    -0.05   0.00   0.05     0.04   0.03  -0.04
     4   6    -0.03  -0.05   0.06    -0.04  -0.03  -0.02     0.18   0.02  -0.03
     5   6     0.02   0.05  -0.03     0.02   0.02   0.01    -0.09   0.00   0.02
     6   6    -0.06  -0.04  -0.03    -0.02  -0.05   0.01    -0.00   0.04   0.00
     7   6     0.07   0.01   0.01     0.05   0.02  -0.04    -0.04  -0.04   0.01
     8   6    -0.00  -0.00   0.00     0.02   0.08   0.02     0.03   0.16   0.00
     9   1    -0.11   0.49  -0.27     0.39  -0.10   0.17    -0.44   0.01  -0.17
    10   1     0.31   0.14   0.39    -0.35   0.08  -0.17     0.18   0.11   0.17
    11   1     0.01  -0.08   0.03     0.10   0.02  -0.03    -0.06  -0.08   0.04
    12   1    -0.00  -0.04   0.07    -0.03  -0.01  -0.02    -0.24  -0.16   0.06
    13   1     0.22   0.07  -0.03     0.03  -0.02  -0.04    -0.02  -0.03  -0.02
    14   1     0.29   0.05  -0.10     0.20  -0.08  -0.06     0.05  -0.04  -0.03
    15   1     0.05  -0.04  -0.06     0.33   0.03  -0.08    -0.02  -0.04   0.01
    16   6    -0.01   0.03   0.00    -0.02  -0.06  -0.01    -0.00  -0.08  -0.00
    17   6    -0.01  -0.03  -0.03    -0.02  -0.07  -0.02    -0.01  -0.08   0.01
    18   1    -0.02  -0.07   0.05     0.02   0.12   0.07     0.04   0.19  -0.02
    19   1     0.00  -0.06   0.09     0.05   0.10  -0.22    -0.01   0.15  -0.22
    20   1     0.04  -0.01  -0.16     0.02   0.03   0.22    -0.03   0.02   0.33
    21   1     0.08   0.03   0.01     0.06   0.13   0.03    -0.07   0.18   0.04
    22   1     0.10   0.01   0.03     0.24   0.02   0.04     0.31   0.01  -0.03
    23   1    -0.16   0.05   0.05    -0.25   0.12   0.03    -0.20   0.15  -0.03
    24   1    -0.10   0.09   0.09    -0.16  -0.04   0.01    -0.08   0.08   0.06
    25   1    -0.01  -0.10   0.02    -0.21   0.11   0.07     0.08  -0.04  -0.03
    26   1    -0.12  -0.18   0.06    -0.14  -0.17  -0.02    -0.16  -0.15   0.00
                     34                     35                     36
                      A                      A                      A
 Frequencies --   1175.2664              1181.0463              1228.3775
 Red. masses --      1.8258                 2.0225                 1.9037
 Frc consts  --      1.4858                 1.6622                 1.6924
 IR Inten    --      4.6270                 1.4429                 2.3664
 RamAct Fr= 1--      2.2914                 3.6926                 3.9386
  Dep-P Fr= 1--      0.6065                 0.6081                 0.4533
  Dep-U Fr= 1--      0.7550                 0.7563                 0.6238
 Alpha2 Fr= 1--      0.0061                 0.0097                 0.0238
 Beta2  Fr= 1--      0.2883                 0.4655                 0.4095
 AlphaG Fr= 1--     -0.0057                -0.0166                 0.0425
 Gamma2 Fr= 1--      3.5278                -0.0160                -0.8153
 Delta2 Fr= 1--      2.9138                -0.0875                -0.4864
 Raman1 Fr= 1--       9.166                 14.771                 15.754
 ROA1   Fr= 1--     431.907                 -4.333                -93.828
 CID1   Fr= 1--      47.122                 -0.293                 -5.956
 Raman2 Fr= 1--       3.460                  5.586                  4.914
 ROA2   Fr= 1--      61.356                  0.316                -15.675
 CID2   Fr= 1--      17.732                  0.057                 -3.190
 Raman3 Fr= 1--       6.920                 11.171                  9.828
 ROA3   Fr= 1--     431.907                 -4.333                -93.828
 CID3   Fr= 1--      62.411                 -0.388                 -9.547
 RC180  Fr= 1--       0.510                  0.513                  0.248
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6     0.01   0.03   0.02    -0.06  -0.12  -0.00     0.02   0.06   0.01
     2   6    -0.00   0.07   0.02    -0.05   0.13   0.07    -0.01  -0.07  -0.04
     3   6    -0.03   0.01   0.01     0.05   0.03  -0.03    -0.06  -0.02  -0.01
     4   6     0.17   0.00  -0.05    -0.10  -0.04   0.04    -0.02  -0.00   0.03
     5   6    -0.08   0.01   0.03     0.04   0.03  -0.02     0.01  -0.01  -0.02
     6   6    -0.01   0.01   0.02    -0.03  -0.03   0.02     0.05   0.01   0.03
     7   6     0.00  -0.05  -0.03     0.08  -0.01  -0.05    -0.05   0.03   0.00
     8   6    -0.01  -0.12  -0.05    -0.05   0.01  -0.09     0.20  -0.02  -0.06
     9   1     0.03  -0.06   0.07    -0.29  -0.26  -0.06    -0.25  -0.29   0.03
    10   1    -0.22   0.27  -0.04    -0.26   0.35   0.03    -0.07   0.36   0.20
    11   1    -0.02  -0.07   0.03     0.06   0.00  -0.01    -0.05  -0.02   0.01
    12   1    -0.25  -0.16   0.05     0.08   0.05   0.01     0.08   0.03   0.02
    13   1    -0.02  -0.04  -0.03     0.11   0.03  -0.01     0.02   0.03   0.03
    14   1     0.20  -0.09  -0.09     0.10  -0.05  -0.03    -0.26   0.02   0.09
    15   1     0.29  -0.03  -0.08     0.33   0.01  -0.09     0.39   0.02  -0.12
    16   6     0.01   0.05   0.02     0.05  -0.01   0.04    -0.08   0.01   0.02
    17   6     0.01   0.06   0.03     0.03  -0.02   0.07    -0.07   0.01   0.01
    18   1    -0.03  -0.12  -0.02     0.01   0.01  -0.18    -0.03  -0.05   0.32
    19   1    -0.02  -0.09   0.18    -0.12   0.02   0.16     0.13  -0.08  -0.07
    20   1    -0.02  -0.02  -0.18    -0.14  -0.03   0.08     0.16   0.04  -0.02
    21   1    -0.09  -0.12  -0.02    -0.26   0.05   0.01    -0.10   0.03   0.01
    22   1    -0.23  -0.02  -0.04     0.10  -0.05  -0.14    -0.12   0.01   0.04
    23   1     0.21  -0.10  -0.03     0.14   0.03  -0.12    -0.13   0.03   0.04
    24   1    -0.23   0.06   0.10     0.19   0.02  -0.05     0.04  -0.01  -0.00
    25   1    -0.16   0.04   0.06     0.30  -0.08  -0.09     0.30  -0.12  -0.13
    26   1    -0.31  -0.35  -0.01     0.06   0.12  -0.02    -0.01   0.02  -0.07
                     37                     38                     39
                      A                      A                      A
 Frequencies --   1248.5183              1258.0047              1330.5241
 Red. masses --      1.1761                 1.1570                 1.7353
 Frc consts  --      1.0802                 1.0788                 1.8099
 IR Inten    --      1.0034                 2.8588                 1.2728
 RamAct Fr= 1--      1.4085                 4.3087                 1.1758
  Dep-P Fr= 1--      0.6981                 0.7472                 0.3943
  Dep-U Fr= 1--      0.8222                 0.8553                 0.5656
 Alpha2 Fr= 1--      0.0013                 0.0002                 0.0089
 Beta2  Fr= 1--      0.1930                 0.6142                 0.1108
 AlphaG Fr= 1--     -0.0489                 0.0114                -0.0082
 Gamma2 Fr= 1--      2.3664                -0.7186                -0.0637
 Delta2 Fr= 1--      0.7550                 0.0311                 0.1556
 Raman1 Fr= 1--       5.634                 17.235                  4.703
 ROA1   Fr= 1--     251.338                -67.993                 -1.136
 CID1   Fr= 1--      44.611                 -3.945                 -0.242
 Raman2 Fr= 1--       2.316                  7.371                  1.330
 ROA2   Fr= 1--      50.755                -17.496                 -2.773
 CID2   Fr= 1--      21.913                 -2.374                 -2.085
 Raman3 Fr= 1--       4.632                 14.741                  2.660
 ROA3   Fr= 1--     251.338                -67.993                 -1.136
 CID3   Fr= 1--      54.256                 -4.612                 -0.427
 RC180  Fr= 1--       0.644                  0.711                  0.131
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6    -0.01   0.02  -0.03     0.01  -0.04   0.05     0.03  -0.02  -0.03
     2   6     0.02  -0.00   0.07     0.01   0.01   0.02     0.07  -0.03  -0.03
     3   6    -0.01  -0.00  -0.01    -0.01   0.01  -0.01    -0.08   0.00   0.04
     4   6    -0.00  -0.01   0.03    -0.02   0.01  -0.05    -0.03   0.05   0.03
     5   6     0.00  -0.00  -0.00     0.01  -0.01   0.02     0.01  -0.03  -0.01
     6   6    -0.01   0.02  -0.05     0.00   0.01  -0.01     0.08   0.04  -0.01
     7   6    -0.02   0.00  -0.01    -0.01  -0.00  -0.01    -0.07  -0.01   0.02
     8   6     0.05  -0.02  -0.01     0.05  -0.01   0.01    -0.10  -0.00   0.13
     9   1    -0.09  -0.18   0.02    -0.17  -0.01  -0.05    -0.10   0.12  -0.16
    10   1    -0.14   0.04  -0.04    -0.10   0.16   0.03    -0.27   0.29  -0.13
    11   1     0.00  -0.01  -0.00     0.02   0.05  -0.02    -0.04   0.04  -0.01
    12   1     0.03   0.01   0.01    -0.01   0.02  -0.07     0.09   0.05  -0.00
    13   1     0.01   0.01   0.01    -0.04  -0.04  -0.02    -0.01   0.04   0.06
    14   1     0.62  -0.08  -0.21     0.22  -0.03  -0.08     0.10   0.02  -0.06
    15   1    -0.53   0.07   0.20    -0.12   0.03   0.06     0.17   0.00  -0.02
    16   6    -0.02   0.01   0.00    -0.02   0.00  -0.00     0.02  -0.00  -0.02
    17   6    -0.02   0.00  -0.00    -0.01   0.01  -0.01     0.02   0.00  -0.04
    18   1    -0.01  -0.02   0.08    -0.01  -0.01   0.07     0.01   0.04  -0.17
    19   1     0.04  -0.03  -0.01     0.05  -0.02  -0.05     0.01   0.08  -0.10
    20   1     0.05   0.02  -0.04     0.06   0.01  -0.02    -0.02  -0.03  -0.10
    21   1    -0.02   0.01   0.00    -0.01   0.00  -0.00     0.17  -0.03  -0.00
    22   1    -0.04   0.00   0.02    -0.06   0.00   0.03     0.06   0.04   0.07
    23   1    -0.05   0.01   0.02    -0.05   0.00   0.04     0.04  -0.08   0.04
    24   1    -0.20   0.03   0.06     0.66  -0.10  -0.23     0.26  -0.11  -0.14
    25   1     0.27  -0.07  -0.11    -0.51   0.07   0.19     0.46  -0.11  -0.16
    26   1     0.05   0.02   0.04     0.00  -0.04   0.07    -0.26  -0.36  -0.02
                     40                     41                     42
                      A                      A                      A
 Frequencies --   1342.0938              1367.2680              1382.7179
 Red. masses --      1.6989                 1.5152                 1.8457
 Frc consts  --      1.8029                 1.6689                 2.0791
 IR Inten    --      0.4319                 2.4702                 1.0211
 RamAct Fr= 1--     12.0444                 3.5735                 3.2122
  Dep-P Fr= 1--      0.2667                 0.6472                 0.6760
  Dep-U Fr= 1--      0.4210                 0.7858                 0.8067
 Alpha2 Fr= 1--      0.1362                 0.0066                 0.0042
 Beta2  Fr= 1--      0.8452                 0.4680                 0.4319
 AlphaG Fr= 1--     -0.0039                 0.0063                -0.0118
 Gamma2 Fr= 1--      0.6748                 2.3676                -1.8502
 Delta2 Fr= 1--      0.3315                 0.9144                -1.2766
 Raman1 Fr= 1--      48.178                 14.294                 12.849
 ROA1   Fr= 1--      75.391                256.548               -218.474
 CID1   Fr= 1--       1.565                 17.948                -17.003
 Raman2 Fr= 1--      10.142                  5.616                  5.183
 ROA2   Fr= 1--      13.543                 49.506                -34.193
 CID2   Fr= 1--       1.335                  8.815                 -6.598
 Raman3 Fr= 1--      20.285                 11.232                 10.365
 ROA3   Fr= 1--      75.391                256.548               -218.474
 CID3   Fr= 1--       3.717                 22.840                -21.078
 RC180  Fr= 1--      -0.158                  0.572                  0.613
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6     0.03   0.01  -0.04    -0.10  -0.05  -0.01     0.10   0.03  -0.03
     2   6    -0.02   0.05  -0.02     0.01  -0.05  -0.02    -0.09   0.06   0.05
     3   6     0.05  -0.01  -0.02     0.06   0.00  -0.01    -0.12   0.00   0.03
     4   6     0.02  -0.06  -0.02    -0.02   0.03   0.02     0.06   0.02  -0.01
     5   6    -0.00   0.02   0.01     0.01   0.00  -0.00     0.01  -0.00  -0.00
     6   6    -0.05  -0.02   0.02    -0.02  -0.01   0.00    -0.04   0.03   0.02
     7   6     0.04   0.01  -0.00     0.13   0.01  -0.06     0.15  -0.04  -0.05
     8   6     0.00  -0.04   0.20     0.04  -0.02   0.04     0.00   0.00  -0.00
     9   1    -0.51  -0.28  -0.18     0.28   0.23   0.06    -0.21  -0.30  -0.04
    10   1    -0.18   0.15  -0.10    -0.25   0.54   0.13     0.06  -0.33  -0.07
    11   1     0.04  -0.05   0.01    -0.03   0.01   0.01    -0.10  -0.00   0.05
    12   1    -0.06  -0.03   0.02    -0.02  -0.03   0.01    -0.07  -0.07   0.00
    13   1     0.02  -0.03  -0.05    -0.03   0.02   0.02    -0.11   0.00   0.02
    14   1    -0.10   0.07   0.03    -0.36   0.01   0.13    -0.40  -0.02   0.15
    15   1     0.09   0.01  -0.02    -0.41   0.06   0.13    -0.39  -0.03   0.10
    16   6    -0.01   0.01  -0.03    -0.01  -0.00  -0.01     0.00   0.01   0.00
    17   6    -0.01   0.01  -0.06    -0.00   0.01  -0.01    -0.00  -0.02  -0.00
    18   1    -0.02   0.02  -0.13    -0.01   0.02   0.00    -0.01  -0.03  -0.00
    19   1     0.11   0.02  -0.15     0.05  -0.01  -0.05     0.01  -0.01   0.01
    20   1     0.11  -0.00  -0.17     0.06   0.01  -0.02    -0.01   0.00  -0.01
    21   1     0.16  -0.04  -0.01    -0.00   0.01  -0.00    -0.01   0.03   0.00
    22   1     0.02   0.06   0.15    -0.05   0.01   0.06     0.03  -0.00   0.01
    23   1    -0.04  -0.11   0.12    -0.00  -0.03   0.03    -0.05   0.03   0.00
    24   1    -0.27   0.02   0.06    -0.11   0.04   0.06     0.28  -0.09  -0.13
    25   1    -0.17  -0.01   0.07    -0.00   0.07   0.00     0.25  -0.11  -0.09
    26   1     0.24   0.35   0.00    -0.17  -0.18   0.01    -0.22  -0.19   0.02
                     43                     44                     45
                      A                      A                      A
 Frequencies --   1400.2852              1411.6491              1415.8255
 Red. masses --      1.7787                 1.3059                 1.2859
 Frc consts  --      2.0549                 1.5333                 1.5187
 IR Inten    --      0.2450                 5.3974                 2.6824
 RamAct Fr= 1--     11.7901                 0.8775                 9.2546
  Dep-P Fr= 1--      0.4405                 0.6658                 0.3962
  Dep-U Fr= 1--      0.6116                 0.7994                 0.5675
 Alpha2 Fr= 1--      0.0751                 0.0013                 0.0695
 Beta2  Fr= 1--      1.2018                 0.1169                 0.8754
 AlphaG Fr= 1--      0.0066                 0.0009                -0.0112
 Gamma2 Fr= 1--     -3.5343                 0.0229                -0.7838
 Delta2 Fr= 1--     -1.6664                -0.0478                -0.7241
 Raman1 Fr= 1--      47.161                  3.510                 37.018
 ROA1   Fr= 1--    -392.623                  0.668                -98.411
 CID1   Fr= 1--      -8.325                  0.190                 -2.658
 Raman2 Fr= 1--      14.421                  1.403                 10.505
 ROA2   Fr= 1--     -71.493                  0.931                -13.017
 CID2   Fr= 1--      -4.957                  0.664                 -1.239
 Raman3 Fr= 1--      28.843                  2.806                 21.009
 ROA3   Fr= 1--    -392.623                  0.668                -98.411
 CID3   Fr= 1--     -13.612                  0.238                 -4.684
 RC180  Fr= 1--       0.223                  0.599                  0.135
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6    -0.00  -0.03  -0.01    -0.00   0.00   0.01    -0.00  -0.00  -0.00
     2   6     0.03  -0.06  -0.01    -0.01  -0.00   0.01    -0.01   0.01   0.00
     3   6    -0.13   0.06   0.07     0.00   0.00  -0.01    -0.01   0.01   0.00
     4   6     0.12  -0.11  -0.07    -0.00   0.00   0.00     0.04   0.00  -0.01
     5   6    -0.02   0.03   0.02    -0.01  -0.00   0.00    -0.13  -0.06   0.03
     6   6    -0.08  -0.00   0.02     0.00   0.00  -0.00    -0.01   0.00   0.01
     7   6     0.00   0.03  -0.00     0.00  -0.00  -0.01     0.02  -0.01  -0.01
     8   6    -0.02   0.00  -0.02     0.03   0.00  -0.05     0.01  -0.00   0.01
     9   1     0.30   0.24   0.03     0.03  -0.01   0.04     0.00  -0.01   0.00
    10   1    -0.13   0.23   0.04     0.03  -0.03   0.04     0.01  -0.01   0.00
    11   1     0.06  -0.15   0.05     0.02   0.02  -0.02     0.43   0.20  -0.35
    12   1    -0.08  -0.04   0.02     0.02   0.02  -0.00     0.35   0.38  -0.02
    13   1    -0.01  -0.10  -0.13     0.03   0.01   0.01     0.58   0.08   0.09
    14   1     0.01   0.05  -0.00     0.00  -0.01  -0.00    -0.06  -0.01   0.02
    15   1    -0.03   0.07   0.04    -0.03   0.01   0.01    -0.06  -0.01   0.01
    16   6     0.01  -0.00   0.00    -0.02  -0.01   0.09    -0.00   0.00  -0.00
    17   6    -0.00   0.00   0.01    -0.12   0.02   0.03     0.01  -0.00  -0.00
    18   1     0.01   0.01   0.00    -0.07   0.08  -0.31     0.00   0.01   0.01
    19   1    -0.03   0.02   0.01     0.15   0.14  -0.25     0.00  -0.01   0.01
    20   1    -0.02  -0.01   0.00     0.10  -0.09  -0.30     0.02   0.01   0.00
    21   1     0.03   0.01   0.01     0.42  -0.12   0.11    -0.03   0.01  -0.01
    22   1     0.01  -0.00  -0.02     0.43   0.09  -0.17    -0.03  -0.01   0.02
    23   1     0.05  -0.00  -0.04     0.36  -0.19  -0.23    -0.03   0.01   0.02
    24   1     0.25  -0.08  -0.15     0.01   0.00   0.00    -0.00  -0.03  -0.03
    25   1     0.30  -0.08  -0.07    -0.03  -0.00   0.01     0.01  -0.04   0.01
    26   1     0.38   0.54   0.03    -0.01  -0.02   0.00    -0.02  -0.00   0.01
                     46                     47                     48
                      A                      A                      A
 Frequencies --   1425.2300              1457.9565              1475.1998
 Red. masses --      1.3331                 1.9922                 1.0821
 Frc consts  --      1.5955                 2.4950                 1.3874
 IR Inten    --      1.9052                 0.1254                 3.7206
 RamAct Fr= 1--      3.4681                13.6324                 3.7726
  Dep-P Fr= 1--      0.1467                 0.1405                 0.6448
  Dep-U Fr= 1--      0.2559                 0.2463                 0.7840
 Alpha2 Fr= 1--      0.0541                 0.2159                 0.0072
 Beta2  Fr= 1--      0.1479                 0.5597                 0.4930
 AlphaG Fr= 1--      0.0143                -0.0051                 0.0103
 Gamma2 Fr= 1--     -0.1994                 1.2456                -1.2329
 Delta2 Fr= 1--     -0.1035                 0.2553                -1.0143
 Raman1 Fr= 1--      13.872                 54.530                 15.091
 ROA1   Fr= 1--     -22.448                127.750               -150.816
 CID1   Fr= 1--      -1.618                  2.343                 -9.994
 Raman2 Fr= 1--       1.775                  6.717                  5.916
 ROA2   Fr= 1--      -3.957                 27.853                -21.475
 CID2   Fr= 1--      -2.229                  4.147                 -3.630
 Raman3 Fr= 1--       3.550                 13.433                 11.832
 ROA3   Fr= 1--     -22.448                127.750               -150.816
 CID3   Fr= 1--      -6.324                  9.510                -12.747
 RC180  Fr= 1--      -0.488                 -0.507                  0.568
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6    -0.02  -0.03  -0.02    -0.11  -0.10  -0.06    -0.00  -0.01  -0.01
     2   6    -0.01   0.04  -0.00    -0.06   0.16  -0.01    -0.01   0.01   0.00
     3   6     0.00   0.01   0.00     0.00   0.05   0.03    -0.03  -0.06  -0.01
     4   6     0.00   0.01   0.00     0.01   0.00   0.00     0.01   0.00  -0.00
     5   6    -0.00  -0.00   0.00     0.00   0.00  -0.00    -0.01   0.01   0.00
     6   6    -0.00  -0.00  -0.00     0.01  -0.00  -0.00    -0.00  -0.01  -0.00
     7   6     0.00  -0.01  -0.00    -0.02  -0.05   0.01    -0.00  -0.02  -0.00
     8   6     0.03  -0.02   0.04     0.12  -0.04   0.07     0.01  -0.00   0.01
     9   1     0.02   0.03  -0.02     0.38   0.15   0.06     0.01   0.00  -0.01
    10   1     0.01  -0.03  -0.03     0.28  -0.30  -0.03     0.02  -0.04  -0.01
    11   1     0.00   0.01  -0.01    -0.02  -0.00   0.01     0.07  -0.14   0.02
    12   1     0.00   0.01  -0.00    -0.03  -0.05   0.03     0.09   0.08   0.03
    13   1     0.01   0.00   0.00    -0.05   0.02   0.03    -0.02  -0.08  -0.09
    14   1     0.02  -0.01  -0.01     0.09   0.12  -0.11    -0.00   0.15  -0.08
    15   1     0.03  -0.02  -0.02     0.24   0.03   0.04     0.06   0.10   0.11
    16   6     0.01   0.02  -0.12    -0.05   0.01   0.02    -0.01  -0.01   0.00
    17   6    -0.09   0.02   0.00    -0.00   0.00  -0.03     0.00   0.01  -0.00
    18   1     0.08  -0.10   0.42    -0.07   0.06  -0.22     0.02   0.17  -0.03
    19   1    -0.14  -0.27   0.35     0.26  -0.15  -0.10    -0.04  -0.03   0.05
    20   1    -0.05   0.15   0.43     0.31   0.06  -0.06     0.17   0.02  -0.04
    21   1     0.32  -0.08   0.07    -0.14   0.04  -0.04    -0.03  -0.07  -0.02
    22   1     0.32   0.11  -0.03    -0.09   0.02   0.16     0.02   0.00  -0.02
    23   1     0.25  -0.21  -0.09    -0.10  -0.04   0.14    -0.04  -0.02   0.07
    24   1     0.02   0.00  -0.01     0.04  -0.11  -0.18     0.28   0.34   0.45
    25   1     0.04   0.01  -0.02     0.21  -0.15   0.01     0.06   0.57  -0.28
    26   1    -0.01  -0.01  -0.00    -0.02  -0.04  -0.01     0.00  -0.00   0.00
                     49                     50                     51
                      A                      A                      A
 Frequencies --   1479.7610              1480.4570              1487.1854
 Red. masses --      1.0494                 1.0857                 1.0477
 Frc consts  --      1.3538                 1.4020                 1.3653
 IR Inten    --      7.4788                 3.3042                 2.7205
 RamAct Fr= 1--      8.3936                27.7048                10.3797
  Dep-P Fr= 1--      0.5399                 0.5240                 0.6973
  Dep-U Fr= 1--      0.7012                 0.6876                 0.8216
 Alpha2 Fr= 1--      0.0339                 0.1218                 0.0096
 Beta2  Fr= 1--      0.9809                 3.1751                 1.4214
 AlphaG Fr= 1--      0.0503                -0.1127                 0.0552
 Gamma2 Fr= 1--      0.5280                 3.8067                -4.3384
 Delta2 Fr= 1--      2.5897                 1.7407                -3.2302
 Raman1 Fr= 1--      33.574                110.819                 41.519
 ROA1   Fr= 1--     133.561                421.147               -519.852
 CID1   Fr= 1--       3.978                  3.800                -12.521
 Raman2 Fr= 1--      11.771                 38.102                 17.057
 ROA2   Fr= 1--      -8.045                 77.436                -78.281
 CID2   Fr= 1--      -0.684                  2.032                 -4.589
 Raman3 Fr= 1--      23.542                 76.203                 34.113
 ROA3   Fr= 1--     133.561                421.147               -519.852
 CID3   Fr= 1--       5.673                  5.527                -15.239
 RC180  Fr= 1--       0.402                  0.375                  0.643
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6    -0.00  -0.00   0.00     0.01   0.02   0.01     0.00   0.00   0.00
     2   6     0.00   0.00  -0.00    -0.00  -0.02   0.00    -0.00   0.00  -0.00
     3   6    -0.00  -0.01   0.00     0.01   0.01   0.00     0.00  -0.01  -0.00
     4   6    -0.00   0.01  -0.02    -0.01  -0.01  -0.01    -0.00  -0.00   0.00
     5   6    -0.02   0.01  -0.05    -0.00   0.01  -0.02    -0.01   0.01   0.01
     6   6    -0.00  -0.00  -0.00     0.00   0.01   0.00     0.00   0.00   0.00
     7   6    -0.00   0.03   0.01     0.00  -0.06  -0.02    -0.00  -0.02  -0.00
     8   6    -0.00  -0.00   0.00    -0.01   0.00  -0.01    -0.00  -0.01  -0.00
     9   1    -0.00   0.01  -0.00    -0.03  -0.03   0.01    -0.02  -0.01   0.00
    10   1    -0.00   0.00  -0.01    -0.01   0.01   0.02     0.01  -0.01   0.00
    11   1     0.38  -0.19  -0.14     0.16  -0.07  -0.06     0.02  -0.09   0.03
    12   1     0.20  -0.17   0.61     0.07  -0.07   0.24     0.05   0.06  -0.02
    13   1    -0.36   0.20   0.23    -0.13   0.08   0.10     0.00  -0.07  -0.09
    14   1     0.03  -0.21   0.10    -0.08   0.53  -0.25    -0.01   0.14  -0.07
    15   1    -0.06  -0.14  -0.17     0.13   0.37   0.45     0.05   0.09   0.11
    16   6    -0.00   0.01   0.00     0.01  -0.01  -0.01     0.01   0.02   0.00
    17   6    -0.00  -0.00  -0.00    -0.00   0.01   0.01    -0.01  -0.05  -0.01
    18   1    -0.02  -0.06  -0.04     0.05   0.08   0.12    -0.06  -0.28  -0.04
    19   1     0.07  -0.03  -0.02    -0.15   0.09   0.04     0.15  -0.03  -0.09
    20   1    -0.02   0.01   0.03    -0.04  -0.03  -0.06    -0.19  -0.01   0.07
    21   1     0.01   0.05   0.01     0.01  -0.09  -0.01     0.13   0.60   0.12
    22   1    -0.02   0.00   0.04     0.03  -0.01  -0.09    -0.19   0.02   0.38
    23   1     0.02   0.00  -0.03    -0.02   0.01   0.02     0.22   0.07  -0.36
    24   1     0.05   0.01   0.01    -0.09  -0.09  -0.12     0.02   0.04   0.06
    25   1    -0.02   0.05  -0.01    -0.06  -0.14   0.09    -0.01   0.07  -0.03
    26   1     0.02   0.01   0.01    -0.03  -0.03   0.00    -0.02  -0.02  -0.00
                     52                     53                     54
                      A                      A                      A
 Frequencies --   1493.1326              1493.9769              1509.6957
 Red. masses --      1.0620                 1.0549                 1.0475
 Frc consts  --      1.3951                 1.3873                 1.4067
 IR Inten    --     11.8236                 4.9314                 1.6255
 RamAct Fr= 1--     14.4980                 0.6147                 1.1175
  Dep-P Fr= 1--      0.4977                 0.7131                 0.7292
  Dep-U Fr= 1--      0.6646                 0.8325                 0.8434
 Alpha2 Fr= 1--      0.0724                 0.0004                 0.0004
 Beta2  Fr= 1--      1.6059                 0.0853                 0.1571
 AlphaG Fr= 1--      0.0184                -0.0003                -0.0028
 Gamma2 Fr= 1--      1.1269                 0.2979                 0.5566
 Delta2 Fr= 1--      1.1128                -0.0079                 0.2720
 Raman1 Fr= 1--      57.992                  2.459                  4.470
 ROA1   Fr= 1--     143.789                 28.345                 62.133
 CID1   Fr= 1--       2.479                 11.529                 13.900
 Raman2 Fr= 1--      19.270                  1.023                  1.885
 ROA2   Fr= 1--      18.143                  7.213                 11.182
 CID2   Fr= 1--       0.942                  7.048                  5.932
 Raman3 Fr= 1--      38.540                  2.047                  3.770
 ROA3   Fr= 1--     143.789                 28.345                 62.133
 CID3   Fr= 1--       3.731                 13.848                 16.481
 RC180  Fr= 1--       0.329                  0.665                  0.687
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6     0.00  -0.00  -0.00     0.01   0.01   0.00     0.01   0.01   0.00
     2   6     0.00  -0.00  -0.00     0.01  -0.01  -0.00    -0.00   0.00   0.00
     3   6    -0.02  -0.01   0.00     0.00  -0.00   0.00     0.01   0.01   0.00
     4   6     0.02  -0.01  -0.01     0.00  -0.00  -0.00    -0.00   0.00   0.00
     5   6     0.03  -0.04  -0.02     0.00  -0.00  -0.00    -0.00   0.00  -0.00
     6   6    -0.02  -0.03  -0.00    -0.00  -0.00   0.00     0.01   0.00  -0.00
     7   6    -0.00   0.00   0.00     0.00  -0.00  -0.00    -0.00   0.01   0.00
     8   6    -0.00  -0.00  -0.00    -0.02   0.00   0.02    -0.01  -0.03  -0.01
     9   1     0.01   0.01  -0.00    -0.05  -0.01  -0.02    -0.02  -0.01   0.00
    10   1    -0.01   0.01   0.00    -0.04   0.04  -0.01     0.01  -0.01  -0.00
    11   1    -0.14   0.56  -0.18    -0.02   0.06  -0.02     0.01  -0.06   0.02
    12   1    -0.28  -0.30  -0.00    -0.03  -0.03  -0.01     0.03   0.02   0.01
    13   1     0.09   0.38   0.44     0.01   0.04   0.05    -0.03  -0.03  -0.03
    14   1     0.02   0.05  -0.03    -0.02   0.04  -0.01     0.00  -0.09   0.05
    15   1     0.04   0.04   0.03     0.01   0.03   0.03    -0.03  -0.06  -0.07
    16   6     0.00  -0.00   0.00    -0.03   0.01  -0.01    -0.01  -0.04  -0.01
    17   6    -0.00  -0.01  -0.01     0.01  -0.01   0.04    -0.00  -0.02  -0.00
    18   1     0.01   0.04   0.03    -0.05   0.06  -0.23     0.13   0.60   0.11
    19   1    -0.04   0.03   0.00     0.20  -0.31   0.12    -0.35   0.07   0.22
    20   1    -0.00  -0.01  -0.04     0.30   0.13   0.20     0.39   0.01  -0.19
    21   1    -0.01   0.13   0.01     0.30  -0.05   0.08     0.05   0.29   0.06
    22   1    -0.01   0.02   0.12    -0.26  -0.18  -0.39    -0.10   0.01   0.20
    23   1     0.06  -0.03  -0.04    -0.11   0.40  -0.31     0.13   0.01  -0.17
    24   1     0.08   0.08   0.10    -0.02  -0.01  -0.01    -0.04  -0.06  -0.08
    25   1     0.03   0.13  -0.07    -0.01  -0.01   0.01    -0.01  -0.09   0.05
    26   1     0.09   0.10  -0.00     0.01   0.01  -0.00    -0.01  -0.02   0.00
                     55                     56                     57
                      A                      A                      A
 Frequencies --   1515.6523              1745.6560              2981.6987
 Red. masses --      1.1888                 6.6028                 1.0696
 Frc consts  --      1.6090                11.8549                 5.6027
 IR Inten    --      1.7812                 1.3205                33.3609
 RamAct Fr= 1--      4.5471                67.9566               120.2145
  Dep-P Fr= 1--      0.7500                 0.1372                 0.1751
  Dep-U Fr= 1--      0.8571                 0.2413                 0.2980
 Alpha2 Fr= 1--      0.0000                 1.0851                 1.7428
 Beta2  Fr= 1--      0.6496                 2.7327                 5.9699
 AlphaG Fr= 1--     -0.0000                -0.0968                 0.4349
 Gamma2 Fr= 1--     -0.0490                 0.1156                -1.0372
 Delta2 Fr= 1--      0.2140                -0.6259                -2.1803
 Raman1 Fr= 1--      18.188                271.826                480.858
 ROA1   Fr= 1--       2.143                 -8.933               -169.340
 CID1   Fr= 1--       0.118                 -0.033                 -0.352
 Raman2 Fr= 1--       7.795                 32.793                 71.638
 ROA2   Fr= 1--      -2.888                  7.781                 -7.451
 CID2   Fr= 1--      -0.370                  0.237                 -0.104
 Raman3 Fr= 1--      15.590                 65.585                143.277
 ROA3   Fr= 1--       2.143                 -8.933               -169.340
 CID3   Fr= 1--       0.137                 -0.136                 -1.182
 RC180  Fr= 1--       0.714                 -0.517                 -0.404
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6    -0.04  -0.03  -0.02     0.01   0.02   0.01    -0.00  -0.00   0.00
     2   6    -0.02   0.05  -0.01    -0.00  -0.02  -0.00     0.00   0.00   0.00
     3   6    -0.00  -0.00   0.00    -0.01  -0.04  -0.01    -0.00  -0.07   0.03
     4   6     0.00   0.01   0.00     0.13   0.49   0.09     0.00  -0.00   0.00
     5   6    -0.00  -0.00   0.00    -0.03  -0.04  -0.00     0.00   0.00  -0.00
     6   6    -0.00  -0.01  -0.00    -0.17  -0.45  -0.06     0.00   0.00   0.00
     7   6    -0.00   0.00   0.00     0.02   0.05   0.01     0.00   0.00   0.00
     8   6     0.06  -0.03   0.07    -0.01   0.00  -0.00    -0.00   0.00   0.00
     9   1     0.06   0.02  -0.00    -0.06  -0.04  -0.00     0.01  -0.01  -0.01
    10   1     0.05  -0.04  -0.01    -0.04   0.06   0.02     0.00   0.00  -0.00
    11   1    -0.00  -0.00   0.00    -0.10  -0.15   0.10    -0.02  -0.02  -0.04
    12   1     0.00   0.00  -0.00     0.14   0.13  -0.01    -0.02   0.02   0.01
    13   1    -0.00  -0.00  -0.00    -0.15  -0.10  -0.08     0.01  -0.06   0.05
    14   1     0.03  -0.07   0.02     0.16   0.12  -0.10    -0.02  -0.02  -0.05
    15   1     0.02  -0.06  -0.07     0.19   0.09   0.03     0.00  -0.00   0.01
    16   6     0.03  -0.01  -0.01    -0.00  -0.00   0.00    -0.00   0.00  -0.00
    17   6    -0.01  -0.00   0.02     0.00  -0.00  -0.00    -0.00   0.00  -0.00
    18   1     0.07  -0.06   0.34     0.00   0.01  -0.03    -0.01   0.00   0.00
    19   1    -0.26   0.38  -0.15     0.01  -0.01  -0.00     0.01   0.01   0.01
    20   1    -0.34  -0.16  -0.28     0.02   0.00  -0.00     0.01  -0.03   0.01
    21   1     0.26  -0.06   0.06     0.00  -0.00   0.00     0.00   0.00  -0.00
    22   1    -0.23  -0.13  -0.29    -0.00  -0.00  -0.00     0.00  -0.01   0.00
    23   1    -0.12   0.31  -0.21    -0.00   0.00  -0.00     0.01   0.01   0.01
    24   1     0.05   0.03   0.03     0.10  -0.13  -0.17    -0.07   0.76  -0.59
    25   1     0.05   0.06  -0.04     0.14  -0.17  -0.01     0.09   0.06   0.20
    26   1     0.00  -0.00  -0.00     0.38   0.13  -0.09    -0.01   0.01   0.00
                     58                     59                     60
                      A                      A                      A
 Frequencies --   2985.7488              3009.4964              3012.4267
 Red. masses --      1.0708                 1.0586                 1.0731
 Frc consts  --      5.6242                 5.6490                 5.7377
 IR Inten    --     45.6335                20.4863                50.1091
 RamAct Fr= 1--    164.3681               123.8922               272.3193
  Dep-P Fr= 1--      0.1821                 0.2200                 0.0561
  Dep-U Fr= 1--      0.3081                 0.3606                 0.1062
 Alpha2 Fr= 1--      2.3399                 1.5949                 5.3016
 Beta2  Fr= 1--      8.4390                 7.4458                 4.8209
 AlphaG Fr= 1--     -0.5288                -0.2959                -0.2062
 Gamma2 Fr= 1--      3.8889               -30.5193                34.4500
 Delta2 Fr= 1--      2.1035               -16.1431                13.8964
 Raman1 Fr= 1--     657.472                495.569               1089.277
 ROA1   Fr= 1--     440.648              -3446.428               3751.885
 CID1   Fr= 1--       0.670                 -6.954                  3.444
 Raman2 Fr= 1--     101.268                 89.350                 57.851
 ROA2   Fr= 1--      76.506               -603.318                715.629
 CID2   Fr= 1--       0.755                 -6.752                 12.370
 Raman3 Fr= 1--     202.535                178.700                115.701
 ROA3   Fr= 1--     440.648              -3446.428               3751.885
 CID3   Fr= 1--       2.176                -19.286                 32.427
 RC180  Fr= 1--      -0.384                 -0.279                 -0.788
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6    -0.00   0.00  -0.00    -0.00   0.00   0.00    -0.00   0.00   0.00
     2   6     0.00  -0.00  -0.00    -0.00  -0.00  -0.00    -0.00  -0.00   0.00
     3   6    -0.00  -0.00   0.00    -0.02  -0.00  -0.05    -0.02  -0.01  -0.05
     4   6    -0.00   0.00   0.00    -0.00   0.00  -0.00    -0.00  -0.00  -0.00
     5   6     0.00   0.00  -0.00     0.03   0.03  -0.00    -0.02  -0.02   0.00
     6   6    -0.00   0.00   0.00    -0.00  -0.00   0.00     0.00   0.00  -0.00
     7   6    -0.02  -0.05  -0.06     0.00  -0.00   0.00    -0.01   0.03  -0.03
     8   6     0.00   0.00  -0.00     0.00   0.00   0.00     0.00  -0.00   0.00
     9   1     0.00  -0.00   0.00     0.02  -0.01  -0.03     0.02  -0.02  -0.04
    10   1    -0.01  -0.01   0.01    -0.00  -0.00   0.00     0.02   0.02  -0.02
    11   1    -0.00  -0.00  -0.00    -0.21  -0.18  -0.44     0.13   0.11   0.26
    12   1    -0.00   0.00   0.00    -0.17   0.20   0.11     0.11  -0.14  -0.07
    13   1     0.00  -0.00   0.00     0.05  -0.38   0.34    -0.03   0.27  -0.24
    14   1     0.32   0.39   0.83    -0.00  -0.00  -0.01     0.03   0.05   0.08
    15   1    -0.04   0.14  -0.15    -0.00   0.01  -0.01     0.07  -0.39   0.33
    16   6     0.00   0.00   0.00     0.00  -0.00   0.00    -0.00   0.00   0.00
    17   6     0.00  -0.00   0.00     0.00  -0.00   0.00    -0.01   0.00  -0.00
    18   1     0.01  -0.00  -0.00     0.00  -0.00  -0.00     0.00  -0.00   0.00
    19   1    -0.01  -0.02  -0.02    -0.00  -0.00  -0.00    -0.00  -0.00  -0.00
    20   1    -0.00   0.01  -0.00    -0.00   0.01  -0.00    -0.00  -0.00   0.00
    21   1    -0.00  -0.00   0.00    -0.00  -0.00   0.01     0.01   0.01  -0.05
    22   1    -0.00   0.01  -0.00    -0.00   0.02  -0.00     0.02  -0.07   0.02
    23   1    -0.01  -0.01  -0.01    -0.01  -0.01  -0.01     0.04   0.05   0.04
    24   1    -0.00   0.04  -0.03     0.01  -0.17   0.11     0.00  -0.08   0.05
    25   1     0.01   0.01   0.02     0.22   0.20   0.49     0.25   0.23   0.56
    26   1     0.02  -0.02  -0.01     0.00  -0.00  -0.00    -0.02   0.02   0.01
                     61                     62                     63
                      A                      A                      A
 Frequencies --   3012.8856              3013.2011              3022.9358
 Red. masses --      1.0820                 1.0364                 1.0401
 Frc consts  --      5.7868                 5.5439                 5.6000
 IR Inten    --     39.2365                31.6122                55.7352
 RamAct Fr= 1--    125.0147               183.3867               338.0504
  Dep-P Fr= 1--      0.7447                 0.0318                 0.0330
  Dep-U Fr= 1--      0.8537                 0.0616                 0.0639
 Alpha2 Fr= 1--      0.0112                 3.7825                 6.9518
 Beta2  Fr= 1--     17.7873                 1.8818                 3.6030
 AlphaG Fr= 1--      0.0612                 0.2321                -0.5370
 Gamma2 Fr= 1--    -14.3002                 2.7978                 3.0582
 Delta2 Fr= 1--      0.7841                -0.6109                -1.9827
 Raman1 Fr= 1--     500.059                733.547               1352.202
 ROA1   Fr= 1--   -1347.731                249.041                230.146
 CID1   Fr= 1--      -2.695                  0.340                  0.170
 Raman2 Fr= 1--     213.447                 22.581                 43.236
 ROA2   Fr= 1--    -349.479                 72.034                 89.259
 CID2   Fr= 1--      -1.637                  3.190                  2.064
 Raman3 Fr= 1--     426.894                 45.163                 86.472
 ROA3   Fr= 1--   -1347.731                249.041                230.146
 CID3   Fr= 1--      -3.157                  5.514                  2.662
 RC180  Fr= 1--       0.707                 -0.877                 -0.872
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6    -0.00   0.00   0.00    -0.00   0.00   0.00    -0.00   0.00   0.00
     2   6     0.00   0.00  -0.00    -0.00  -0.00   0.00    -0.00  -0.00   0.00
     3   6    -0.01  -0.01  -0.03    -0.00  -0.00  -0.01    -0.00  -0.00   0.00
     4   6     0.00  -0.00  -0.00     0.00  -0.00  -0.00    -0.00  -0.00  -0.00
     5   6    -0.01  -0.01   0.00    -0.00  -0.00   0.00    -0.00  -0.00   0.00
     6   6    -0.00   0.00   0.00     0.00  -0.00  -0.00     0.00  -0.00  -0.00
     7   6     0.02  -0.05   0.05     0.00   0.00   0.00     0.00   0.00   0.00
     8   6     0.00   0.00  -0.00    -0.00  -0.00   0.00     0.00  -0.00   0.00
     9   1     0.01  -0.01  -0.02     0.01  -0.01  -0.01     0.01  -0.01  -0.01
    10   1    -0.03  -0.03   0.04     0.01   0.00  -0.01     0.01   0.00  -0.01
    11   1     0.08   0.07   0.17     0.03   0.02   0.05     0.01   0.01   0.02
    12   1     0.08  -0.09  -0.05     0.02  -0.03  -0.01     0.01  -0.01  -0.00
    13   1    -0.02   0.18  -0.16    -0.01   0.05  -0.05    -0.00   0.02  -0.01
    14   1    -0.05  -0.09  -0.13    -0.00  -0.00  -0.01    -0.01  -0.01  -0.03
    15   1    -0.12   0.62  -0.52    -0.00   0.00  -0.00     0.00  -0.01   0.01
    16   6     0.00  -0.00   0.00    -0.00   0.00  -0.01     0.01  -0.01   0.05
    17   6    -0.00   0.00  -0.00     0.05  -0.01   0.00     0.01  -0.00  -0.00
    18   1     0.00  -0.00  -0.00    -0.08   0.02   0.01     0.29  -0.06  -0.04
    19   1    -0.00  -0.00  -0.00     0.09   0.11   0.10    -0.34  -0.40  -0.37
    20   1    -0.00   0.01  -0.00     0.04  -0.17   0.04    -0.13   0.62  -0.17
    21   1     0.01   0.01  -0.03    -0.08  -0.07   0.41    -0.03  -0.02   0.12
    22   1     0.01  -0.05   0.01    -0.13   0.57  -0.14    -0.04   0.15  -0.04
    23   1     0.03   0.03   0.03    -0.34  -0.37  -0.33    -0.09  -0.10  -0.09
    24   1     0.00  -0.05   0.03    -0.00  -0.00  -0.00    -0.00   0.03  -0.02
    25   1     0.15   0.14   0.34     0.04   0.03   0.08     0.01   0.01   0.02
    26   1     0.01  -0.01  -0.01    -0.00   0.00   0.00    -0.00   0.00   0.00
                     64                     65                     66
                      A                      A                      A
 Frequencies --   3048.6008              3063.1122              3066.4866
 Red. masses --      1.0990                 1.1013                 1.1004
 Frc consts  --      6.0181                 6.0881                 6.0965
 IR Inten    --     24.4214                 2.9524                54.7111
 RamAct Fr= 1--    114.8784                22.6008               170.7820
  Dep-P Fr= 1--      0.7414                 0.7500                 0.7492
  Dep-U Fr= 1--      0.8515                 0.8571                 0.8566
 Alpha2 Fr= 1--      0.0168                 0.0000                 0.0023
 Beta2  Fr= 1--     16.3030                 3.2286                24.3827
 AlphaG Fr= 1--      0.2407                 0.0006                 0.0450
 Gamma2 Fr= 1--      2.6428                 0.5190                 0.5988
 Delta2 Fr= 1--      6.1342                -0.0470                 3.5480
 Raman1 Fr= 1--     459.514                 90.403                683.128
 ROA1   Fr= 1--     450.003                 48.323                171.016
 CID1   Fr= 1--       0.979                  0.535                  0.250
 Raman2 Fr= 1--     195.636                 38.743                292.592
 ROA2   Fr= 1--      14.353                 12.833                -14.014
 CID2   Fr= 1--       0.073                  0.331                 -0.048
 Raman3 Fr= 1--     391.272                 77.486                585.184
 ROA3   Fr= 1--     450.003                 48.323                171.016
 CID3   Fr= 1--       1.150                  0.624                  0.292
 RC180  Fr= 1--       0.703                  0.714                  0.713
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6    -0.00   0.00   0.00     0.00   0.00   0.00     0.00   0.00   0.00
     2   6     0.00  -0.00  -0.00    -0.00   0.00  -0.00    -0.00   0.00  -0.00
     3   6    -0.00   0.00  -0.00    -0.00   0.00  -0.00     0.00  -0.00   0.00
     4   6    -0.00   0.00  -0.00    -0.00  -0.00  -0.00     0.00  -0.00  -0.00
     5   6    -0.03   0.02  -0.08    -0.00   0.00  -0.00    -0.00   0.00   0.00
     6   6    -0.00   0.00  -0.00     0.00  -0.00  -0.00    -0.00  -0.00  -0.00
     7   6     0.00  -0.00   0.00     0.00   0.00   0.00    -0.00   0.00  -0.00
     8   6     0.00   0.00  -0.00    -0.00  -0.00  -0.00    -0.00  -0.00  -0.00
     9   1     0.00  -0.00  -0.00     0.00  -0.00  -0.00    -0.00   0.00   0.00
    10   1    -0.00  -0.00   0.00    -0.00  -0.00   0.00     0.00   0.00  -0.00
    11   1     0.30   0.28   0.59     0.00   0.00   0.00    -0.00  -0.00  -0.00
    12   1     0.00  -0.01  -0.03    -0.00   0.00   0.00     0.00  -0.00  -0.00
    13   1     0.05  -0.53   0.44     0.00  -0.00   0.00    -0.00   0.01  -0.00
    14   1    -0.00  -0.00  -0.00    -0.00  -0.00  -0.01     0.00   0.00   0.01
    15   1    -0.00   0.01  -0.01    -0.00   0.00  -0.00     0.00  -0.00   0.00
    16   6     0.00  -0.00  -0.00     0.01   0.05   0.01    -0.02  -0.07  -0.01
    17   6    -0.00   0.00   0.00    -0.02  -0.07  -0.01    -0.01  -0.05  -0.01
    18   1    -0.00   0.00   0.00     0.00   0.01   0.00    -0.01  -0.02  -0.00
    19   1     0.00   0.00   0.00    -0.22  -0.24  -0.24     0.32   0.35   0.34
    20   1    -0.00   0.01  -0.00     0.09  -0.37   0.11    -0.12   0.54  -0.16
    21   1     0.00   0.00  -0.00    -0.00  -0.02  -0.01    -0.00  -0.01  -0.01
    22   1     0.00  -0.00   0.00    -0.14   0.54  -0.14    -0.10   0.38  -0.10
    23   1    -0.00  -0.00  -0.00     0.34   0.35   0.32     0.23   0.24   0.22
    24   1     0.00  -0.02   0.01     0.00  -0.01   0.00     0.00   0.01  -0.00
    25   1     0.01   0.01   0.03     0.00   0.00   0.00    -0.00  -0.00  -0.00
    26   1    -0.00   0.00  -0.00     0.00   0.00  -0.00    -0.00   0.00   0.00
                     67                     68                     69
                      A                      A                      A
 Frequencies --   3086.8091              3102.0605              3123.8813
 Red. masses --      1.1002                 1.0985                 1.0953
 Frc consts  --      6.1762                 6.2278                 6.2978
 IR Inten    --     27.3454                20.2287                 8.9841
 RamAct Fr= 1--     60.6285                65.8067                50.8924
  Dep-P Fr= 1--      0.7429                 0.7110                 0.5009
  Dep-U Fr= 1--      0.8525                 0.8311                 0.6674
 Alpha2 Fr= 1--      0.0073                 0.0444                 0.2503
 Beta2  Fr= 1--      8.6143                 9.1153                 5.6612
 AlphaG Fr= 1--      0.0082                -0.0827                -0.3459
 Gamma2 Fr= 1--      0.9800                -2.8059                -5.1396
 Delta2 Fr= 1--     -0.5014                -1.7687                 0.1180
 Raman1 Fr= 1--     242.514                263.227                203.569
 ROA1   Fr= 1--      78.032               -325.970               -489.628
 CID1   Fr= 1--       0.322                 -1.238                 -2.405
 Raman2 Fr= 1--     103.372                109.384                 67.935
 ROA2   Fr= 1--      27.530                -53.192               -124.295
 CID2   Fr= 1--       0.266                 -0.486                 -1.830
 Raman3 Fr= 1--     206.743                218.767                135.869
 ROA3   Fr= 1--      78.032               -325.970               -489.628
 CID3   Fr= 1--       0.377                 -1.490                 -3.604
 RC180  Fr= 1--       0.705                  0.662                  0.335
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6    -0.00   0.00   0.00    -0.00  -0.00  -0.00     0.00  -0.00  -0.00
     2   6    -0.00  -0.00   0.00    -0.00  -0.00   0.00     0.00   0.00  -0.00
     3   6     0.00   0.00   0.00    -0.00  -0.00  -0.00    -0.00  -0.00   0.00
     4   6    -0.00  -0.00   0.00    -0.00  -0.00  -0.00    -0.00  -0.00  -0.00
     5   6    -0.00   0.00  -0.00     0.04  -0.07  -0.03    -0.00   0.00  -0.00
     6   6    -0.00   0.00   0.00    -0.01   0.01   0.00     0.00   0.00  -0.00
     7   6    -0.00  -0.00  -0.00     0.00   0.00   0.00    -0.00   0.00   0.00
     8   6    -0.00   0.00  -0.00     0.00  -0.00  -0.00    -0.00   0.00  -0.00
     9   1     0.02  -0.02  -0.04     0.00   0.00   0.00    -0.01   0.01   0.02
    10   1     0.03   0.02  -0.03     0.00   0.00  -0.00    -0.01  -0.01   0.01
    11   1    -0.00  -0.00  -0.00     0.12   0.08   0.21     0.00   0.00   0.00
    12   1     0.00  -0.00  -0.00    -0.57   0.64   0.36     0.00  -0.00  -0.00
    13   1     0.00  -0.00   0.00    -0.01   0.17  -0.17     0.00  -0.00   0.00
    14   1     0.00   0.00   0.00    -0.00  -0.00  -0.00    -0.00  -0.00  -0.00
    15   1    -0.00   0.00  -0.00     0.00  -0.00   0.00    -0.00   0.00  -0.00
    16   6     0.00  -0.00  -0.00    -0.00  -0.00  -0.00    -0.09   0.02   0.00
    17   6    -0.00   0.02  -0.09    -0.00  -0.00  -0.00     0.00   0.00  -0.00
    18   1    -0.01   0.00   0.00     0.00  -0.00  -0.00     0.92  -0.17  -0.16
    19   1     0.00   0.01   0.01     0.00   0.00   0.00     0.10   0.14   0.12
    20   1     0.00  -0.01   0.00    -0.00   0.00  -0.00     0.03  -0.20   0.06
    21   1    -0.19  -0.13   0.86    -0.00  -0.00   0.00    -0.00  -0.00   0.01
    22   1     0.07  -0.29   0.05    -0.00   0.00  -0.00     0.00  -0.00  -0.00
    23   1     0.18   0.20   0.15     0.00   0.00   0.00     0.00   0.00   0.00
    24   1     0.00  -0.00   0.00    -0.00   0.01  -0.00     0.00   0.00   0.00
    25   1    -0.00  -0.00  -0.00     0.00   0.00   0.01    -0.00   0.00  -0.00
    26   1     0.00  -0.00  -0.00     0.07  -0.05  -0.04    -0.00   0.00   0.00
                     70                     71                     72
                      A                      A                      A
 Frequencies --   3128.9838              3131.2260              3139.7834
 Red. masses --      1.0874                 1.0884                 1.0892
 Frc consts  --      6.2727                 6.2876                 6.3263
 IR Inten    --     13.6069                39.7202                34.6221
 RamAct Fr= 1--     84.0952               135.3337               221.3663
  Dep-P Fr= 1--      0.7276                 0.2909                 0.0893
  Dep-U Fr= 1--      0.8423                 0.4506                 0.1639
 Alpha2 Fr= 1--      0.0323                 1.4263                 3.9786
 Beta2  Fr= 1--     11.8059                10.1644                 6.0469
 AlphaG Fr= 1--     -0.0636                -0.0061                -0.1207
 Gamma2 Fr= 1--     -2.6406                -3.0945                -0.3962
 Delta2 Fr= 1--      0.1486                -0.8548                 0.7052
 Raman1 Fr= 1--     336.381                541.335                885.465
 ROA1   Fr= 1--    -248.740               -324.428                -15.472
 CID1   Fr= 1--      -0.739                 -0.599                 -0.017
 Raman2 Fr= 1--     141.671                121.973                 72.563
 ROA2   Fr= 1--     -64.562                -67.430                -15.151
 CID2   Fr= 1--      -0.456                 -0.553                 -0.209
 Raman3 Fr= 1--     283.342                243.946                145.125
 ROA3   Fr= 1--    -248.740               -324.428                -15.472
 CID3   Fr= 1--      -0.878                 -1.330                 -0.107
 RC180  Fr= 1--       0.685                 -0.099                 -0.672
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6     0.03  -0.02  -0.05    -0.00   0.00   0.01     0.02  -0.02  -0.05
     2   6    -0.04  -0.02   0.04     0.00  -0.00   0.00     0.04   0.03  -0.04
     3   6    -0.00  -0.00  -0.00     0.00  -0.00  -0.00    -0.00  -0.00  -0.00
     4   6    -0.00  -0.00   0.00    -0.00  -0.00  -0.00    -0.00  -0.00   0.00
     5   6    -0.00   0.00   0.00    -0.00   0.01   0.00    -0.00   0.00   0.00
     6   6    -0.00   0.00   0.00    -0.06   0.05   0.03    -0.01   0.00   0.00
     7   6     0.00  -0.00   0.00     0.00   0.00   0.00    -0.00   0.00  -0.00
     8   6    -0.00  -0.00  -0.00    -0.00   0.00  -0.00     0.00  -0.00   0.00
     9   1    -0.31   0.27   0.60     0.05  -0.05  -0.10    -0.28   0.25   0.55
    10   1     0.40   0.30  -0.44     0.01   0.01  -0.01    -0.44  -0.33   0.48
    11   1    -0.00  -0.00  -0.00    -0.01  -0.00  -0.01     0.00   0.00   0.00
    12   1     0.01  -0.01  -0.00     0.06  -0.06  -0.04     0.01  -0.01  -0.00
    13   1     0.00  -0.00   0.00     0.00  -0.01   0.01     0.00   0.00  -0.00
    14   1    -0.00  -0.00  -0.00    -0.01  -0.01  -0.02    -0.00  -0.00  -0.00
    15   1    -0.01   0.03  -0.03     0.00  -0.02   0.02     0.01  -0.04   0.03
    16   6     0.00   0.00   0.00    -0.00   0.00   0.00     0.00  -0.00   0.00
    17   6     0.00   0.00  -0.00     0.00  -0.00   0.00     0.00   0.00  -0.01
    18   1    -0.00   0.00   0.00     0.01  -0.00  -0.00    -0.02   0.00   0.00
    19   1    -0.00  -0.00  -0.00    -0.00   0.00   0.00    -0.01  -0.01  -0.01
    20   1     0.00  -0.00  -0.00    -0.00   0.00  -0.00    -0.00   0.01  -0.00
    21   1    -0.00  -0.00   0.00     0.00   0.00  -0.01    -0.02  -0.01   0.07
    22   1    -0.00  -0.00  -0.00    -0.00   0.00  -0.00     0.00  -0.01   0.00
    23   1     0.00  -0.00   0.00    -0.00  -0.00  -0.00     0.00   0.01   0.01
    24   1     0.00  -0.00  -0.00    -0.00   0.01  -0.00     0.00   0.00  -0.00
    25   1     0.02   0.02   0.04    -0.00   0.00   0.00     0.02   0.02   0.04
    26   1     0.06  -0.05  -0.03     0.69  -0.58  -0.39     0.07  -0.05  -0.04

 -------------------
 - Thermochemistry -
 -------------------
 Temperature   298.150 Kelvin.  Pressure   1.00000 Atm.
 Atom     1 has atomic number  6 and mass  12.00000
 Atom     2 has atomic number  6 and mass  12.00000
 Atom     3 has atomic number  6 and mass  12.00000
 Atom     4 has atomic number  6 and mass  12.00000
 Atom     5 has atomic number  6 and mass  12.00000
 Atom     6 has atomic number  6 and mass  12.00000
 Atom     7 has atomic number  6 and mass  12.00000
 Atom     8 has atomic number  6 and mass  12.00000
 Atom     9 has atomic number  1 and mass   1.00783
 Atom    10 has atomic number  1 and mass   1.00783
 Atom    11 has atomic number  1 and mass   1.00783
 Atom    12 has atomic number  1 and mass   1.00783
 Atom    13 has atomic number  1 and mass   1.00783
 Atom    14 has atomic number  1 and mass   1.00783
 Atom    15 has atomic number  1 and mass   1.00783
 Atom    16 has atomic number  6 and mass  12.00000
 Atom    17 has atomic number  6 and mass  12.00000
 Atom    18 has atomic number  1 and mass   1.00783
 Atom    19 has atomic number  1 and mass   1.00783
 Atom    20 has atomic number  1 and mass   1.00783
 Atom    21 has atomic number  1 and mass   1.00783
 Atom    22 has atomic number  1 and mass   1.00783
 Atom    23 has atomic number  1 and mass   1.00783
 Atom    24 has atomic number  1 and mass   1.00783
 Atom    25 has atomic number  1 and mass   1.00783
 Atom    26 has atomic number  1 and mass   1.00783
 Molecular mass:   136.12520 amu.
 Principal axes and moments of inertia in atomic units:
                           1         2         3
     Eigenvalues --   729.946551882.076572052.97649
           X            0.99998   0.00587  -0.00278
           Y           -0.00585   0.99997   0.00509
           Z            0.00281  -0.00508   0.99998
 This molecule is an asymmetric top.
 Rotational symmetry number  1.
 Warning -- assumption of classical behavior for rotation
           may cause significant error
 Rotational temperatures (Kelvin)      0.11866     0.04602     0.04219
 Rotational constants (GHZ):           2.47243     0.95891     0.87909
 Zero-point vibrational energy     616314.3 (Joules/Mol)
                                  147.30266 (Kcal/Mol)
 Warning -- explicit consideration of  15 degrees of freedom as
           vibrations may cause significant error
 Vibrational temperatures:    114.99   228.09   259.90   271.90   296.33
          (Kelvin)            339.93   362.05   389.54   488.01   506.03
                              587.84   619.33   669.46   733.39   835.10
                              987.74  1042.17  1111.25  1159.04  1202.58
                             1320.48  1348.80  1371.81  1384.64  1403.45
                             1433.35  1463.24  1488.69  1519.99  1546.12
                             1585.51  1621.46  1680.12  1690.95  1699.26
                             1767.36  1796.34  1809.99  1914.33  1930.97
                             1967.19  1989.42  2014.70  2031.05  2037.06
                             2050.59  2097.67  2122.48  2129.05  2130.05
                             2139.73  2148.28  2149.50  2172.12  2180.69
                             2511.61  4290.00  4295.83  4329.99  4334.21
                             4334.87  4335.32  4349.33  4386.26  4407.14
                             4411.99  4441.23  4463.17  4494.57  4501.91
                             4505.14  4517.45
 
 Zero-point correction=                           0.234742 (Hartree/Particle)
 Thermal correction to Energy=                    0.245197
 Thermal correction to Enthalpy=                  0.246141
 Thermal correction to Gibbs Free Energy=         0.199977
 Sum of electronic and zero-point Energies=           -390.621104
 Sum of electronic and thermal Energies=              -390.610648
 Sum of electronic and thermal Enthalpies=            -390.609704
 Sum of electronic and thermal Free Energies=         -390.655869
 
                     E (Thermal)             CV                S
                      KCal/Mol        Cal/Mol-Kelvin    Cal/Mol-Kelvin
 Total                  153.863             41.122             97.161
 Electronic               0.000              0.000              0.000
 Translational            0.889              2.981             40.637
 Rotational               0.889              2.981             29.424
 Vibrational            152.086             35.161             27.100
 Vibration     1          0.600              1.963              3.893
 Vibration     2          0.621              1.893              2.567
 Vibration     3          0.630              1.866              2.322
 Vibration     4          0.633              1.855              2.238
 Vibration     5          0.640              1.831              2.079
 Vibration     6          0.655              1.785              1.831
 Vibration     7          0.664              1.760              1.719
 Vibration     8          0.674              1.727              1.591
 Vibration     9          0.719              1.597              1.216
 Vibration    10          0.728              1.572              1.159
 Vibration    11          0.773              1.452              0.932
 Vibration    12          0.792              1.404              0.857
 Vibration    13          0.823              1.327              0.751
 Vibration    14          0.865              1.228              0.634
 Vibration    15          0.937              1.074              0.485
                       Q            Log10(Q)             Ln(Q)
 Total Bot       0.104030D-91        -91.982843       -211.798323
 Total V=0       0.978961D+16         15.990765         36.820098
 Vib (Bot)       0.277200-105       -105.557207       -243.054450
 Vib (Bot)    1  0.257678D+01          0.411078          0.946541
 Vib (Bot)    2  0.127580D+01          0.105783          0.243573
 Vib (Bot)    3  0.111162D+01          0.045956          0.105818
 Vib (Bot)    4  0.105944D+01          0.025077          0.057741
 Vib (Bot)    5  0.965881D+00         -0.015076         -0.034715
 Vib (Bot)    6  0.831318D+00         -0.080233         -0.184743
 Vib (Bot)    7  0.775000D+00         -0.110698         -0.254892
 Vib (Bot)    8  0.713537D+00         -0.146584         -0.337521
 Vib (Bot)    9  0.547723D+00         -0.261439         -0.601986
 Vib (Bot)   10  0.523995D+00         -0.280673         -0.646274
 Vib (Bot)   11  0.433492D+00         -0.363019         -0.835882
 Vib (Bot)   12  0.404629D+00         -0.392942         -0.904784
 Vib (Bot)   13  0.363940D+00         -0.438970         -1.010765
 Vib (Bot)   14  0.319632D+00         -0.495350         -1.140585
 Vib (Bot)   15  0.262422D+00         -0.581000         -1.337801
 Vib (V=0)       0.260857D+03          2.416402          5.563971
 Vib (V=0)    1  0.312484D+01          0.494828          1.139384
 Vib (V=0)    2  0.187028D+01          0.271906          0.626088
 Vib (V=0)    3  0.171889D+01          0.235249          0.541680
 Vib (V=0)    4  0.167150D+01          0.223107          0.513722
 Vib (V=0)    5  0.158762D+01          0.200748          0.462238
 Vib (V=0)    6  0.147010D+01          0.167346          0.385329
 Vib (V=0)    7  0.142229D+01          0.152989          0.352271
 Vib (V=0)    8  0.137128D+01          0.137127          0.315747
 Vib (V=0)    9  0.124162D+01          0.093989          0.216417
 Vib (V=0)   10  0.122427D+01          0.087878          0.202347
 Vib (V=0)   11  0.116175D+01          0.065113          0.149929
 Vib (V=0)   12  0.114321D+01          0.058128          0.133844
 Vib (V=0)   13  0.111843D+01          0.048608          0.111924
 Vib (V=0)   14  0.109343D+01          0.038793          0.089324
 Vib (V=0)   15  0.106468D+01          0.027220          0.062676
 Electronic      0.100000D+01          0.000000          0.000000
 Translational   0.624254D+08          7.795362         17.949484
 Rotational      0.601176D+06          5.779002         13.306643
 ***** Axes restored to original set *****
 -------------------------------------------------------------------
 Center     Atomic                   Forces (Hartrees/Bohr)
 Number     Number              X              Y              Z
 -------------------------------------------------------------------
      1        6           0.000030910   -0.000011240   -0.000011087
      2        6           0.000026123    0.000031548   -0.000007283
      3        6          -0.000043802   -0.000016513   -0.000008809
      4        6           0.000030745   -0.000002616   -0.000002870
      5        6          -0.000005679    0.000005282    0.000006595
      6        6           0.000039985   -0.000031202   -0.000006235
      7        6          -0.000057269    0.000009743    0.000024479
      8        6          -0.000030251   -0.000021457    0.000021218
      9        1           0.000000907   -0.000003845    0.000009464
     10        1          -0.000001767    0.000002662   -0.000000311
     11        1           0.000000926    0.000001602    0.000000177
     12        1           0.000003583    0.000004872    0.000000274
     13        1          -0.000003488    0.000000214    0.000001724
     14        1          -0.000004426    0.000008444    0.000000925
     15        1           0.000002650    0.000002313    0.000002318
     16        6          -0.000010561    0.000000625    0.000010479
     17        6           0.000002051    0.000001205   -0.000006925
     18        1           0.000008182    0.000007271   -0.000030342
     19        1           0.000000360   -0.000002609   -0.000000112
     20        1          -0.000000253    0.000004364   -0.000002198
     21        1          -0.000003137    0.000003685   -0.000004991
     22        1           0.000016345   -0.000002182    0.000003126
     23        1           0.000003026    0.000001053   -0.000001470
     24        1          -0.000003852    0.000000975    0.000001566
     25        1          -0.000004044    0.000005061    0.000001567
     26        1           0.000002733    0.000000746   -0.000001279
 -------------------------------------------------------------------
 Cartesian Forces:  Max     0.000057269 RMS     0.000014641
 End of FrcOut F.D. properties on file   721 Mask=       B NFrqRd=     1 NDeriv=     1 ND12= 1 LenFil=      39:
 Frequencies=    0.085645
 Property number 1 -- Alpha(-w,w) frequency  1    0.085645:
                 1             2             3 
      1   0.134693D+03  0.447263D+01  0.383406D+00
      2   0.447263D+01  0.122630D+03  0.249642D+01
      3   0.383406D+00  0.249642D+01  0.102748D+03
 Property number 2 -- FD Optical Rotation Tensor frequency  1    0.085645:
                 1             2             3 
      1   0.119922D+01 -0.114630D-01  0.338920D+01
      2   0.988709D+01 -0.833083D+01  0.110015D+02
      3   0.196688D+02  0.293435D+02  0.665288D+01
 Property number 4 -- D-Q polarizability frequency  1    0.085645:
                 1             2             3 
      1  -0.210010D+02 -0.522645D+02  0.818575D+01
      2   0.124541D+01  0.505894D+02 -0.128746D+02
      3   0.197556D+02  0.167513D+01  0.468887D+01
      4  -0.464071D+02 -0.496054D+02 -0.224489D+02
      5   0.229939D+02 -0.202319D+02  0.351354D+02
      6  -0.105649D+02  0.536362D+01 -0.209446D+02
 End of FrcOut F.D. properties on file   722 Mask=       B NFrqRd=     1 NDeriv=    78 ND12= 1 LenFil=    2811:
 Frequencies=    0.085645
 Property number 1 -- Alpha(-w,w) derivatives, frequency  1    0.085645:
                 1             2             3             4             5 
      1  -0.292033D+01 -0.690659D+00 -0.200386D+01  0.141729D+00 -0.215728D+01
      2  -0.690659D+00 -0.485435D+00 -0.139424D+01 -0.215728D+01 -0.473732D+01
      3  -0.200386D+01 -0.139424D+01 -0.459166D+01 -0.131652D+00 -0.363669D-01
                 6             7             8             9            10 
      1  -0.131652D+00 -0.418470D+01 -0.276578D+01 -0.443110D+01 -0.238008D+01
      2  -0.363669D-01 -0.276578D+01  0.192091D+01  0.115082D+01  0.131038D+01
      3   0.154343D+01 -0.443110D+01  0.115082D+01  0.192640D+00 -0.266587D-01
                11            12            13            14            15 
      1   0.131038D+01 -0.266587D-01  0.597953D+00 -0.220602D+01  0.135804D+01
      2  -0.135941D+01  0.326078D+01 -0.220602D+01  0.582043D+01  0.633669D+00
      3   0.326078D+01 -0.290647D+01  0.135804D+01  0.633669D+00  0.691939D+00
                16            17            18            19            20 
      1  -0.431632D+00  0.514206D+01 -0.233241D+01 -0.826276D-01 -0.104293D+01
      2   0.514206D+01  0.569356D+00  0.108128D+01 -0.104293D+01 -0.100214D+01
      3  -0.233241D+01  0.108128D+01  0.821322D-02  0.609107D+00  0.129090D+01
                21            22            23            24            25 
      1   0.609107D+00 -0.141826D+01  0.446611D+00  0.109961D+01  0.102325D+01
      2   0.129090D+01  0.446611D+00  0.102407D+02 -0.280834D+00  0.950422D+00
      3   0.164083D+01  0.109961D+01 -0.280834D+00  0.252198D+01  0.319635D+01
                26            27            28            29            30 
      1   0.950422D+00  0.319635D+01 -0.525347D+01 -0.283081D+01 -0.427380D+00
      2  -0.932654D+00  0.512823D+01 -0.283081D+01 -0.362595D+01 -0.877271D+00
      3   0.512823D+01  0.377694D+01 -0.427380D+00 -0.877271D+00 -0.120785D+01
                31            32            33            34            35 
      1  -0.427694D+01 -0.651290D+01 -0.217584D+01 -0.111297D+01 -0.166597D+01
      2  -0.651290D+01 -0.185933D+02 -0.790177D+00 -0.166597D+01 -0.181817D+01
      3  -0.217584D+01 -0.790177D+00 -0.390492D+01 -0.263006D+01 -0.301365D+01
                36            37            38            39            40 
      1  -0.263006D+01  0.350004D+01  0.914155D+00  0.916585D+00 -0.169303D+00
      2  -0.301365D+01  0.914155D+00  0.436991D+01  0.273731D+01  0.658851D+01
      3  -0.163459D+01  0.916585D+00  0.273731D+01  0.203097D+01  0.223024D+01
                41            42            43            44            45 
      1   0.658851D+01  0.223024D+01  0.140946D+01  0.253657D+01  0.441726D+01
      2   0.554409D+01 -0.307974D+01  0.253657D+01 -0.331316D+01  0.443298D+01
      3  -0.307974D+01  0.256622D+01  0.441726D+01  0.443298D+01  0.130667D+01
                46            47            48            49            50 
      1   0.557129D+01  0.203112D+01 -0.517931D+00  0.421472D+01  0.741095D+01
      2   0.203112D+01  0.699592D+01  0.270336D+01  0.741095D+01  0.153270D+02
      3  -0.517931D+00  0.270336D+01  0.158423D+01  0.264979D+01 -0.722602D+00
                51            52            53            54            55 
      1   0.264979D+01  0.190701D+00  0.335306D+01  0.185573D+01 -0.150821D+01
      2  -0.722602D+00  0.335306D+01 -0.982989D+00  0.345056D+01 -0.171678D+01
      3   0.307817D+01  0.185573D+01  0.345056D+01  0.196588D+01 -0.574742D+00
                56            57            58            59            60 
      1  -0.171678D+01 -0.574742D+00 -0.174036D+01 -0.394032D+01 -0.165367D+01
      2  -0.371897D+01 -0.236020D+01 -0.394032D+01 -0.942615D+01  0.114916D+01
      3  -0.236020D+01 -0.797219D+00 -0.165367D+01  0.114916D+01 -0.283841D+01
                61            62            63            64            65 
      1  -0.591617D+00 -0.223913D+01 -0.124378D+01  0.314227D+01  0.113646D+00
      2  -0.223913D+01  0.118678D+01 -0.603070D+01  0.113646D+00  0.149062D+01
      3  -0.124378D+01 -0.603070D+01 -0.181641D+01  0.422262D+01 -0.740098D+00
                66            67            68            69            70 
      1   0.422262D+01  0.143861D+00  0.557291D+01 -0.917116D-01  0.731927D+01
      2  -0.740098D+00  0.557291D+01 -0.439299D+01  0.264763D+01 -0.813188D+00
      3   0.455286D+01 -0.917116D-01  0.264763D+01  0.173195D+00  0.509413D+01
                71            72            73            74            75 
      1  -0.813188D+00  0.509413D+01  0.184330D+01 -0.135861D+01 -0.150545D+01
      2   0.227023D+01  0.139667D+00 -0.135861D+01  0.912230D+00  0.993465D+00
      3   0.139667D+00 -0.312526D+00 -0.150545D+01  0.993465D+00  0.270087D+01
                76            77            78            79            80 
      1  -0.127775D+01  0.524106D+00  0.565399D+00 -0.193870D+01  0.103572D+01
      2   0.524106D+00 -0.164773D+01 -0.208539D+01  0.103572D+01 -0.222212D+01
      3   0.565399D+00 -0.208539D+01 -0.285914D+01  0.216201D+01 -0.293829D+01
                81            82            83            84            85 
      1   0.216201D+01  0.367983D+01  0.185177D+01 -0.188770D+01  0.162726D+01
      2  -0.293829D+01  0.185177D+01  0.193588D+01 -0.187055D+01  0.132501D+01
      3  -0.637116D+01 -0.188770D+01 -0.187055D+01  0.252597D+01 -0.136770D+01
                86            87            88            89            90 
      1   0.132501D+01 -0.136770D+01 -0.255228D+01 -0.185744D+01  0.225117D+01
      2   0.331298D+01 -0.208856D+01 -0.185744D+01 -0.222811D+01  0.217444D+01
      3  -0.208856D+01  0.179294D+01  0.225117D+01  0.217444D+01 -0.333845D+01
                91            92            93            94            95 
      1  -0.473966D+01 -0.201244D+01 -0.224243D+01 -0.273650D+01 -0.306309D+01
      2  -0.201244D+01 -0.145982D+01 -0.121670D+01 -0.306309D+01 -0.315173D+01
      3  -0.224243D+01 -0.121670D+01 -0.183764D+01 -0.119481D+01 -0.116704D+01
                96            97            98            99           100 
      1  -0.119481D+01 -0.544365D+01 -0.295800D+01 -0.351000D+01 -0.601215D+01
      2  -0.116704D+01 -0.295800D+01 -0.231149D+01 -0.284841D+01  0.191381D+01
      3  -0.171584D+01 -0.351000D+01 -0.284841D+01 -0.448343D+01  0.156909D+01
               101           102           103           104           105 
      1   0.191381D+01  0.156909D+01  0.503270D+01 -0.209530D+01 -0.148884D+01
      2  -0.132420D+01 -0.682594D+00 -0.209530D+01  0.194663D+01  0.973492D+00
      3  -0.682594D+00 -0.132677D+01 -0.148884D+01  0.973492D+00  0.105787D+01
               106           107           108           109           110 
      1   0.249934D+01 -0.858155D+00 -0.202360D+01 -0.532677D+00 -0.823214D+00
      2  -0.858155D+00  0.913597D+00  0.434520D+00 -0.823214D+00  0.996614D-01
      3  -0.202360D+01  0.434520D+00  0.140912D+01  0.458433D+00 -0.294233D+00
               111           112           113           114           115 
      1   0.458433D+00 -0.322215D+01 -0.328055D+01  0.928844D+00  0.191605D+01
      2  -0.294233D+00 -0.328055D+01 -0.708752D+01  0.329921D+01  0.121945D+01
      3  -0.218225D+00  0.928844D+00  0.329921D+01 -0.255142D+01 -0.192192D+01
               116           117           118           119           120 
      1   0.121945D+01 -0.192192D+01  0.181016D+01  0.142052D+01  0.130108D+01
      2   0.389698D+01 -0.343708D+01  0.142052D+01  0.195203D+01  0.137230D+01
      3  -0.343708D+01  0.300368D+01  0.130108D+01  0.137230D+01  0.115040D+01
               121           122           123           124           125 
      1   0.146466D+01  0.190385D+01  0.709573D+00  0.272380D+01  0.160712D+01
      2   0.190385D+01  0.618649D+01  0.232191D+01  0.160712D+01  0.496870D+01
      3   0.709573D+00  0.232191D+01  0.195620D+01  0.140247D+01  0.443193D+01
               126           127           128           129           130 
      1   0.140247D+01 -0.331133D+00  0.115828D+01 -0.681683D+00  0.190300D+01
      2   0.443193D+01  0.115828D+01 -0.951240D+00  0.653097D+00  0.813256D+00
      3   0.442986D+01 -0.681683D+00  0.653097D+00 -0.109647D+00  0.121383D+00
               131           132           133           134           135 
      1   0.813256D+00  0.121383D+00 -0.150183D+01  0.246938D+00  0.300516D+00
      2   0.107845D+02 -0.350571D+01  0.246938D+00 -0.535699D+01  0.392193D+01
      3  -0.350571D+01  0.208063D+01  0.300516D+00  0.392193D+01 -0.234921D+01
               136           137           138           139           140 
      1   0.569260D+01 -0.198083D+01 -0.255795D+01 -0.240372D+01 -0.305825D+01
      2  -0.198083D+01 -0.183833D+01 -0.751294D+00 -0.305825D+01  0.485301D+01
      3  -0.255795D+01 -0.751294D+00 -0.309574D+01 -0.803444D+00 -0.495553D+01
               141           142           143           144           145 
      1  -0.803444D+00 -0.312985D+01 -0.402594D+00 -0.360094D+01 -0.684697D+00
      2  -0.495553D+01 -0.402594D+00 -0.342327D+01 -0.126502D+01 -0.165922D+01
      3  -0.175447D+01 -0.360094D+01 -0.126502D+01 -0.344491D-01 -0.301193D+01
               146           147           148           149           150 
      1  -0.165922D+01 -0.301193D+01 -0.204958D+01 -0.595609D+01 -0.664271D+00
      2  -0.331448D+01 -0.437768D+00 -0.595609D+01  0.543470D+01 -0.239877D+01
      3  -0.437768D+00 -0.248074D+01 -0.664271D+00 -0.239877D+01 -0.176734D+01
               151           152           153           154           155 
      1  -0.359510D+01 -0.654680D+00 -0.393227D+01 -0.757375D+01  0.110401D+01
      2  -0.654680D+00 -0.280235D+01 -0.162535D+01  0.110401D+01 -0.694821D+00
      3  -0.393227D+01 -0.162535D+01  0.516089D+01  0.795235D+00  0.388989D+00
               156           157           158           159           160 
      1   0.795235D+00  0.147539D+01 -0.333673D+00  0.230346D+00  0.945013D+00
      2   0.388989D+00 -0.333673D+00 -0.241375D+00  0.629952D+00  0.132179D+00
      3  -0.237236D+01  0.230346D+00  0.629952D+00  0.693049D+00 -0.112255D+01
               161           162           163           164           165 
      1   0.132179D+00 -0.112255D+01  0.254246D+01  0.128776D+01  0.267291D+01
      2   0.591388D+00  0.329572D+00  0.128776D+01  0.122150D+01  0.103243D+01
      3   0.329572D+00  0.100159D+01  0.267291D+01  0.103243D+01  0.359181D+01
               166           167           168           169           170 
      1   0.203065D+01  0.153570D+01  0.170580D+01  0.186248D+01  0.824084D+00
      2   0.153570D+01  0.148029D+01  0.239680D+01  0.824084D+00  0.144870D+01
      3   0.170580D+01  0.239680D+01  0.369511D+01  0.261282D+01  0.179567D+01
               171           172           173           174           175 
      1   0.261282D+01  0.649124D+00 -0.112845D+01  0.112552D+01 -0.141437D+01
      2   0.179567D+01 -0.112845D+01  0.133432D+01 -0.559237D+00  0.196762D+01
      3   0.528132D+01  0.112552D+01 -0.559237D+00  0.122572D+01 -0.915133D+00
               176           177           178           179           180 
      1   0.196762D+01 -0.915133D+00  0.533299D+00 -0.333969D+00  0.913135D+00
      2  -0.686367D+01  0.394842D+01 -0.333969D+00  0.187392D+01 -0.172265D+01
      3   0.394842D+01 -0.336881D+01  0.913135D+00 -0.172265D+01  0.218606D+01
               181           182           183           184           185 
      1   0.141217D+01  0.348276D+00 -0.139189D+01  0.830448D+00  0.974855D+00
      2   0.348276D+00  0.481122D+00  0.304400D-02  0.974855D+00 -0.195243D+00
      3  -0.139189D+01  0.304400D-02  0.153514D+01 -0.227709D+00 -0.594997D+00
               186           187           188           189           190 
      1  -0.227709D+00 -0.328357D+01  0.103359D+00  0.322109D+01  0.251791D+01
      2  -0.594997D+00  0.103359D+00 -0.821162D+00  0.507778D+00 -0.175131D+01
      3   0.876534D+00  0.322109D+01  0.507778D+00 -0.696242D+01  0.618168D+00
               191           192           193           194           195 
      1  -0.175131D+01  0.618168D+00 -0.452515D+01  0.470523D+01 -0.442209D+00
      2   0.177446D+01 -0.255743D+00  0.470523D+01 -0.773787D+01  0.129221D+01
      3  -0.255743D+00  0.409136D+00 -0.442209D+00  0.129221D+01 -0.114550D+01
               196           197           198           199           200 
      1   0.164975D+01 -0.757275D+00  0.125073D+01  0.649373D+01  0.197447D+01
      2  -0.757275D+00  0.148507D+01 -0.100357D+01  0.197447D+01  0.156023D+01
      3   0.125073D+01 -0.100357D+01  0.397187D+00  0.216161D+01  0.809681D+00
               201           202           203           204           205 
      1   0.216161D+01  0.488267D+01  0.287180D+01  0.141679D+01  0.458729D+01
      2   0.809681D+00  0.287180D+01  0.179929D+01  0.139050D+01  0.111512D+01
      3   0.152762D+01  0.141679D+01  0.139050D+01  0.160037D+01  0.261224D+01
               206           207           208           209           210 
      1   0.111512D+01  0.261224D+01  0.103861D+00 -0.976386D+00  0.413778D+00
      2   0.148399D+01  0.113982D+01 -0.976386D+00 -0.231388D-01 -0.398073D+00
      3   0.113982D+01  0.187598D+01  0.413778D+00 -0.398073D+00 -0.204894D+00
               211           212           213           214           215 
      1  -0.168631D+01 -0.541978D+00  0.117896D+00  0.157893D+01  0.205278D+00
      2  -0.541978D+00 -0.959598D+01  0.160803D+01  0.205278D+00  0.436120D+01
      3   0.117896D+00  0.160803D+01 -0.129630D+01 -0.594610D+00 -0.258256D+01
               216           217           218           219           220 
      1  -0.594610D+00 -0.187787D+01 -0.100150D+01 -0.186586D+01 -0.628254D+00
      2  -0.258256D+01 -0.100150D+01 -0.176893D+01 -0.181995D+01 -0.102066D+01
      3   0.895795D+00 -0.186586D+01 -0.181995D+01 -0.208969D+01 -0.830058D+00
               221           222           223           224           225 
      1  -0.102066D+01 -0.830058D+00 -0.271552D+01 -0.138153D+01 -0.228184D+01
      2  -0.395256D+01 -0.236592D+01 -0.138153D+01 -0.308708D+01 -0.444077D+01
      3  -0.236592D+01 -0.230066D+01 -0.228184D+01 -0.444077D+01 -0.667098D+01
               226           227           228           229           230 
      1  -0.506210D+01  0.354495D+01  0.183133D+01  0.320359D+01 -0.247430D+01
      2   0.354495D+01 -0.256099D+01 -0.158741D+01 -0.247430D+01  0.489338D+01
      3   0.183133D+01 -0.158741D+01 -0.123666D+01 -0.114668D+01  0.178065D+01
               231           232           233           234 
      1  -0.114668D+01  0.224278D+01 -0.178365D+01 -0.166456D+01
      2   0.178065D+01 -0.178365D+01  0.232871D+01  0.788843D+00
      3   0.117519D+01 -0.166456D+01  0.788843D+00  0.108181D+01
 Property number 2 -- FD Optical Rotation Tensor derivatives, frequency  1    0.085645:
                 1             2             3             4             5 
      1  -0.113362D+01  0.662538D+00 -0.149434D+01  0.116864D+01  0.112530D+02
      2  -0.349538D+01 -0.481054D+00 -0.411397D+01 -0.100565D+01 -0.441523D+01
      3   0.129387D+01 -0.303031D+01  0.249951D+01  0.756437D+01  0.917152D+01
                 6             7             8             9            10 
      1  -0.107326D+01  0.129521D+01  0.174087D+01  0.266090D+00 -0.112289D+01
      2  -0.368602D-01 -0.142900D+02 -0.349448D+01 -0.622720D+01 -0.163732D+01
      3   0.353230D+01  0.790773D+01 -0.263255D+00  0.423637D+01 -0.215905D+01
                11            12            13            14            15 
      1  -0.423238D+01 -0.340843D+00 -0.219243D+01 -0.104018D+02 -0.477719D+01
      2   0.469946D+01 -0.151685D+01  0.305109D+01  0.499448D+00  0.210056D+01
      3  -0.448618D+01 -0.412865D+01  0.946781D+01 -0.135944D+02  0.243842D+01
                16            17            18            19            20 
      1  -0.450586D+01  0.116569D+01 -0.240578D+01  0.139990D+01  0.423714D+01
      2  -0.654108D+01  0.711624D+01 -0.796326D+00 -0.284127D+01 -0.876471D+00
      3  -0.842043D+01  0.421424D+01 -0.543804D+01 -0.127649D+01 -0.419342D+01
                21            22            23            24            25 
      1   0.215929D+01  0.218361D+01 -0.109539D+02  0.489159D+01  0.463701D+01
      2   0.189411D+00 -0.178470D+01 -0.684865D+00 -0.372997D+01 -0.622681D+01
      3   0.478545D+00  0.467517D+01  0.151224D+02 -0.108619D+01  0.197015D+01
                26            27            28            29            30 
      1   0.189002D+02  0.418544D+01 -0.656517D-01 -0.696362D+00  0.121139D+00
      2  -0.533511D+01 -0.200277D+01 -0.119236D+01  0.607025D+01  0.338153D+01
      3  -0.368687D+01  0.317187D+01 -0.121342D+02 -0.208936D+02 -0.500462D+01
                31            32            33            34            35 
      1  -0.245995D+00 -0.362865D+01 -0.415969D+00  0.130728D+01  0.112879D+02
      2   0.794936D+01  0.368997D+01  0.104608D+02 -0.364457D+01  0.712458D+01
      3  -0.162827D+02 -0.455765D+02 -0.259776D+01 -0.787114D+01 -0.471320D+01
                36            37            38            39            40 
      1   0.232485D+01  0.208290D+01  0.504441D+01  0.437734D+01  0.381956D+01
      2   0.553313D+01 -0.515484D+01 -0.119918D+02 -0.558660D+01 -0.827845D+01
      3  -0.794441D+01 -0.252040D+01  0.130918D+02  0.940742D+01  0.283033D+02
                41            42            43            44            45 
      1  -0.321724D+01  0.203489D+01  0.978163D+01  0.996240D+01  0.256105D+01
      2   0.105415D+02 -0.100961D+02 -0.218855D+02 -0.208511D+02 -0.601143D+01
      3   0.164202D+02 -0.141340D+02  0.658463D+01 -0.167945D+02  0.127077D+02
                46            47            48            49            50 
      1  -0.489910D+00 -0.232673D+01 -0.157947D+01 -0.112507D+01  0.534339D+01
      2  -0.228379D+01 -0.441473D+01 -0.311247D+01 -0.317350D+01 -0.115129D+01
      3   0.502868D+01  0.872351D+01  0.454282D+01  0.209098D+02  0.488740D+02
                51            52            53            54            55 
      1  -0.343192D+01  0.670458D-01  0.121154D+01 -0.106233D+01  0.185466D+01
      2  -0.838798D+01 -0.139410D+02 -0.109383D+02 -0.447874D+01 -0.256582D+01
      3   0.293983D+01  0.684760D+01  0.337866D+01  0.100382D+02 -0.451334D+01
                56            57            58            59            60 
      1   0.671400D+01  0.237499D+01  0.352860D+01 -0.527477D+01  0.667316D+01
      2   0.533339D+00  0.952477D+00  0.673784D+00  0.815359D+00  0.166171D+00
      3  -0.102582D+02 -0.329696D+01 -0.332102D+01 -0.143776D+02 -0.282883D+01
                61            62            63            64            65 
      1   0.658189D+01  0.239411D+02  0.678198D+01  0.240196D+01  0.339849D+01
      2  -0.336751D+01 -0.259611D+01  0.699043D+00  0.149772D+02 -0.321839D+01
      3  -0.608759D+01 -0.607067D+01 -0.541661D+01 -0.614198D+00 -0.985329D+01
                66            67            68            69            70 
      1   0.216597D+01 -0.415596D+01  0.795976D+00 -0.490279D+01  0.683218D+00
      2   0.153231D+02 -0.571575D-01  0.738656D+01  0.134679D+01  0.447285D+01
      3   0.628132D+00 -0.874486D+01  0.897382D+01 -0.584044D+01 -0.832588D+00
                71            72            73            74            75 
      1   0.685888D+01 -0.234389D+00  0.545852D+00 -0.739502D+00  0.132256D+01
      2   0.111458D+01 -0.252880D+01  0.272123D+01 -0.102724D+01  0.151989D+01
      3  -0.629764D+01 -0.234741D+01 -0.389633D+00 -0.139991D+01  0.249380D+00
                76            77            78            79            80 
      1  -0.780506D-01  0.120224D+01 -0.835217D+00  0.701789D+00  0.359109D+01
      2  -0.194766D+01 -0.123134D+01 -0.205242D+01 -0.417666D+01 -0.596721D+00
      3   0.316917D+01  0.548582D+00  0.136244D+01  0.214290D+01  0.231231D+01
                81            82            83            84            85 
      1  -0.154977D+01  0.108189D+01 -0.246954D+00 -0.201218D+01  0.393243D+00
      2  -0.161350D+01  0.226046D+01 -0.754801D+00  0.298331D+01 -0.155824D-01
      3   0.637587D+00  0.348583D+01 -0.218548D+01 -0.645456D-01  0.335850D+01
                86            87            88            89            90 
      1  -0.157054D+01 -0.178317D+01 -0.151671D+01  0.166244D+01  0.291171D+01
      2  -0.112111D+01  0.117952D+01 -0.240478D+01 -0.438921D-01 -0.206715D+01
      3  -0.263468D+01  0.853531D+00 -0.191299D+01  0.170612D+01  0.102025D+01
                91            92            93            94            95 
      1  -0.365198D+01 -0.158895D+01 -0.287551D+01 -0.239690D+01 -0.123894D+01
      2   0.813630D+01  0.482654D+01  0.850092D+01  0.460749D+01  0.451536D+01
      3  -0.282125D+01 -0.580538D+01 -0.272641D+01 -0.687728D+01 -0.925851D+01
                96            97            98            99           100 
      1  -0.326455D+01 -0.558952D+01 -0.289943D+01 -0.596938D+01  0.231784D+01
      2   0.713247D+01  0.113052D+02  0.108364D+02  0.175761D+02 -0.417069D+01
      3  -0.286773D+01 -0.406053D+01 -0.632248D+01 -0.706289D+01  0.116456D+02
               101           102           103           104           105 
      1  -0.179605D+01 -0.987834D+00 -0.175043D+01  0.239823D+01 -0.270051D+00
      2   0.219942D+01  0.641635D+01  0.371265D+01 -0.323156D+01 -0.468159D+01
      3  -0.857283D+01 -0.424349D+01 -0.865521D+01  0.104591D+02  0.470858D+01
               106           107           108           109           110 
      1  -0.195821D+01  0.163434D+01  0.756168D+00 -0.349858D+00 -0.100314D+01
      2   0.485484D+01 -0.137161D+01 -0.495355D+01 -0.160179D+01  0.188446D+01
      3  -0.498979D+01  0.534817D+01  0.277980D+01 -0.291050D+01 -0.539571D+00
               111           112           113           114           115 
      1  -0.266486D+00  0.127493D+01  0.122475D+01 -0.419059D+01 -0.280388D+01
      2   0.116933D+01 -0.178077D+01 -0.112560D+02  0.961793D+01  0.428582D+01
      3  -0.129504D+01 -0.690143D+01 -0.235796D+02  0.112768D+02  0.211912D+01
               116           117           118           119           120 
      1  -0.190927D+01  0.335125D+01 -0.450426D+01 -0.356951D+01 -0.401665D+01
      2   0.117859D+02 -0.104136D+02 -0.123188D+01 -0.104274D+01  0.915038D+00
      3   0.146107D+02 -0.108079D+02  0.616794D+01  0.217060D+01  0.375458D+01
               121           122           123           124           125 
      1  -0.125184D+01 -0.538717D+01 -0.654194D+01 -0.398406D+01 -0.101245D+02
      2  -0.475435D+00 -0.935728D+00  0.176395D+00 -0.186157D+01 -0.397879D+00
      3   0.653893D+01  0.701385D+01  0.234908D+01  0.103821D+02  0.535145D+01
               126           127           128           129           130 
      1  -0.132943D+02  0.150130D+01 -0.209140D+01  0.138280D+00  0.575365D+00
      2  -0.878629D+00  0.857152D+00  0.100804D+01  0.107938D+01  0.260194D-01
      3   0.449997D+01 -0.863401D+00  0.949841D+00 -0.132414D+01  0.835592D+01
               131           132           133           134           135 
      1   0.727718D+01 -0.712709D+01 -0.265141D+01 -0.777724D+01  0.619133D+01
      2  -0.104561D+01 -0.511494D-01 -0.172444D+01  0.334000D+00 -0.185038D-01
      3   0.572432D+01 -0.458006D+00 -0.461976D+01 -0.352765D+00  0.233233D+01
               136           137           138           139           140 
      1  -0.754494D+01 -0.460965D+01 -0.334927D+01 -0.758683D+01  0.837878D+01
      2  -0.194424D+02  0.319536D+01  0.485528D+01  0.412078D+01 -0.304594D+01
      3   0.853174D-01  0.187436D+01  0.289009D+01  0.905481D+01 -0.680561D+01
               141           142           143           144           145 
      1  -0.155025D+02 -0.284043D+01 -0.776160D+01 -0.379195D+01 -0.168611D+01
      2  -0.685412D+00  0.870175D+00 -0.103378D+01  0.592627D+01 -0.108263D+02
      3   0.869516D+01  0.254361D+01  0.585047D+01  0.389529D+01  0.779717D+01
               146           147           148           149           150 
      1  -0.413282D+00 -0.203338D+01  0.148595D+00 -0.216237D+01 -0.214838D+01
      2  -0.189011D+01 -0.103224D+02 -0.261852D+01 -0.103949D+02 -0.639163D+01
      3   0.137173D+02  0.325025D+01  0.277808D+02 -0.176186D+02  0.952206D+01
               151           152           153           154           155 
      1  -0.306312D+01  0.138214D+01  0.337831D+01  0.471096D+01 -0.282990D+01
      2  -0.202051D+02 -0.525496D+01  0.183072D+02  0.240767D+02 -0.335858D+01
      3   0.397205D+01  0.986802D+01  0.798587D+01  0.315146D+01 -0.129709D+01
               156           157           158           159           160 
      1   0.594114D-01 -0.214812D+01  0.475125D+00  0.132574D+00 -0.622280D+00
      2  -0.932705D+00 -0.449412D+01  0.138514D+01 -0.219798D+00 -0.461203D+01
      3  -0.357409D+00  0.187406D+01  0.375212D-01 -0.480338D+00 -0.240323D+00
               161           162           163           164           165 
      1   0.145123D+01  0.664771D+00  0.400805D+01  0.492376D+01  0.317668D+01
      2   0.263710D+00  0.224218D+01 -0.113866D+01 -0.903595D+00  0.277262D+01
      3   0.470361D+00  0.169691D+00 -0.220173D+01 -0.392422D+01 -0.254778D+01
               166           167           168           169           170 
      1   0.401741D+01  0.564272D+01  0.526946D+01  0.321995D+01  0.629792D+01
      2  -0.287452D+01  0.102756D+01  0.312941D+01 -0.291331D+01  0.664067D+00
      3  -0.141595D+01 -0.353007D+01 -0.421548D+01 -0.144606D+01 -0.348303D+01
               171           172           173           174           175 
      1   0.605421D+01 -0.946200D+00  0.282290D+01  0.565796D+00  0.346236D+01
      2   0.341142D+01  0.760541D+00  0.448549D+00  0.103161D+01  0.292963D+01
      3  -0.367785D+01  0.924641D+00 -0.251471D+01  0.529724D+00  0.112922D+01
               176           177           178           179           180 
      1  -0.136143D+02  0.299231D+01 -0.451240D+00  0.481380D+01 -0.188815D+01
      2   0.323485D+01 -0.443133D+01 -0.152064D+01 -0.140155D+01  0.191979D+01
      3   0.102197D+02 -0.566422D+01 -0.650657D+00 -0.281345D+01  0.212227D+01
               181           182           183           184           185 
      1  -0.907546D+00 -0.589471D+00  0.831991D+00 -0.138731D+00 -0.442576D+00
      2  -0.452962D+01  0.143803D+00  0.637727D+01  0.612906D-01 -0.122722D+01
      3  -0.175341D+01 -0.238122D+01  0.848551D+00 -0.232278D+01 -0.218128D-01
               186           187           188           189           190 
      1  -0.248950D+00  0.145310D+01  0.327514D+01 -0.368079D+01  0.468458D+00
      2   0.324580D+01  0.637405D+01  0.216364D+01 -0.244308D+02  0.226575D+01
      3   0.196312D+01  0.985615D+00  0.402090D+01 -0.336112D+01  0.484135D+01
               191           192           193           194           195 
      1  -0.296735D+00  0.969737D+00 -0.266427D+00  0.123410D+01 -0.382518D+01
      2  -0.126194D+01  0.312316D+01 -0.180001D+01  0.531986D+01 -0.546756D+01
      3  -0.738853D+01  0.685213D+00 -0.109868D+02  0.265352D+02 -0.462320D+01
               196           197           198           199           200 
      1   0.657059D+00  0.196190D+00  0.715586D+00  0.132549D+01  0.921177D+00
      2   0.295398D+01 -0.296471D+01  0.147249D+01  0.802852D+01  0.330532D+01
      3   0.967736D+00 -0.533791D+01  0.251208D+01 -0.103765D+02 -0.890878D+01
               201           202           203           204           205 
      1   0.130817D+00  0.938481D+00  0.118960D+01 -0.803700D+00  0.127863D+01
      2   0.833593D+01  0.501810D+01  0.533814D+01  0.731882D+01  0.742848D+01
      3  -0.423474D+01 -0.105516D+02 -0.891877D+01 -0.583402D+01 -0.566081D+01
               206           207           208           209           210 
      1   0.174617D+01  0.144070D+00  0.246455D+01 -0.105099D+01  0.264294D+00
      2   0.424468D+01  0.756753D+01 -0.748526D+00  0.554301D+00  0.163154D+01
      3  -0.740013D+01 -0.540603D+01 -0.187840D+01  0.155974D+00 -0.150274D+01
               211           212           213           214           215 
      1   0.812125D+00  0.112683D+02 -0.651987D+01 -0.117795D+01 -0.809372D+01
      2  -0.152239D+01 -0.278321D+01  0.162366D+01  0.894863D+00  0.325108D+01
      3   0.596630D+01 -0.118218D+02  0.128921D+01 -0.494144D+01  0.600329D+01
               216           217           218           219           220 
      1   0.522279D+01 -0.228674D+01 -0.196844D+01 -0.295227D+01 -0.301204D+00
      2  -0.199738D+01 -0.187267D+00  0.106426D+01  0.196600D+01 -0.576303D+00
      3  -0.240273D+01  0.285165D+01 -0.299549D+01 -0.840581D-01  0.227799D+01
               221           222           223           224           225 
      1   0.408116D+00 -0.303303D+01 -0.148667D+01 -0.347937D+01 -0.824397D+01
      2   0.176184D+01  0.192604D+01 -0.357079D+01  0.362457D+01  0.538562D+01
      3  -0.427376D+01 -0.122587D+01  0.390680D+01 -0.200811D+01 -0.232705D+01
               226           227           228           229           230 
      1  -0.147411D+01  0.132503D+01  0.324994D+01  0.112944D+01 -0.144877D+01
      2  -0.850300D+00  0.253782D+01  0.443333D+01  0.254584D+00 -0.299165D+01
      3  -0.309499D+01 -0.136001D+01 -0.199477D+00  0.298138D+01  0.514950D+01
               231           232           233           234 
      1  -0.267104D+01  0.322159D+01  0.223102D+01 -0.214294D+01
      2  -0.319258D+01  0.209777D+01  0.151889D+01 -0.181048D+01
      3   0.111375D+01  0.140402D+01  0.240927D+01 -0.191725D+01
 Property number 4 -- D-Q polarizability derivatives, frequency  1    0.085645:
                 1             2             3             4             5 
      1  -0.131516D+02 -0.540070D+01 -0.946125D+01 -0.768414D+01 -0.242672D+01
      2   0.967521D+01  0.195862D+01  0.135619D+01  0.218089D+01  0.782173D+01
      3   0.347640D+01  0.344208D+01  0.810506D+01  0.550325D+01 -0.539501D+01
      4   0.944056D+00 -0.690235D+00 -0.329150D+01 -0.199640D+01 -0.319912D+01
      5  -0.517338D+00 -0.549462D+01 -0.107771D+02  0.100174D+01  0.413040D+00
      6  -0.294684D+01  0.296217D+00  0.433577D+01  0.298558D+01  0.295836D+01
                 6             7             8             9            10 
      1   0.684593D+01 -0.223445D+02 -0.198879D+01 -0.259525D+01 -0.607772D+01
      2  -0.216842D+01  0.779816D+01  0.344541D+01  0.660186D+01  0.612518D+01
      3  -0.467751D+01  0.145463D+02 -0.145661D+01 -0.400661D+01 -0.474592D-01
      4   0.973829D-01 -0.770206D+01  0.717743D+01  0.813684D+01 -0.823705D+00
      5   0.537704D+01 -0.875785D+01  0.688291D+01  0.867697D+01  0.466524D+01
      6  -0.473411D+01  0.805139D+01 -0.369986D+01 -0.751242D+01  0.579819D+01
                11            12            13            14            15 
      1   0.672650D+01 -0.368150D+01  0.888040D+01 -0.111768D+02 -0.627261D+00
      2   0.231218D+00  0.275783D+01 -0.277529D+01  0.121605D+02  0.271777D+01
      3  -0.695772D+01  0.923671D+00 -0.610511D+01 -0.983681D+00 -0.209051D+01
      4  -0.625077D+01  0.108666D+02 -0.126270D+02  0.799099D+01  0.671509D+01
      5   0.898531D+01 -0.907750D+01  0.274590D+01  0.358995D+01 -0.346147D+01
      6   0.139590D+01 -0.584211D+01  0.638737D+01  0.325592D+01 -0.157535D+01
                16            17            18            19            20 
      1  -0.566992D+01  0.129547D+02 -0.636053D+01  0.720449D+00  0.874847D+01
      2   0.277488D+01 -0.686026D+01  0.692729D+01  0.180792D+01 -0.201160D+01
      3   0.289504D+01 -0.609439D+01 -0.566756D+00 -0.252837D+01 -0.673687D+01
      4   0.188233D+02  0.418718D+01 -0.278930D+01  0.387686D+01  0.128527D+00
      5  -0.839282D+01 -0.387183D+01  0.494377D+01 -0.380896D+01 -0.345919D+01
      6  -0.657654D+01 -0.942842D+00  0.438552D+01 -0.711971D+00 -0.520759D+01
                21            22            23            24            25 
      1   0.563199D+01  0.153529D+02  0.224232D+02 -0.446025D+01  0.774826D+01
      2  -0.127647D+01 -0.868057D+01 -0.275621D+02  0.114200D+02 -0.316821D+00
      3  -0.435552D+01 -0.667228D+01  0.513884D+01 -0.695973D+01 -0.743144D+01
      4  -0.577895D+01 -0.113128D+01 -0.186674D+02 -0.566533D+01 -0.601445D+01
      5  -0.825369D+01 -0.553263D+01 -0.536336D+01 -0.985939D+01 -0.998893D+01
      6  -0.701831D+01 -0.398685D+01  0.163734D+01 -0.104396D+02 -0.103089D+02
                26            27            28            29            30 
      1  -0.377841D+01  0.926998D+01  0.192267D+02  0.122068D+02  0.212767D+01
      2   0.219594D+02 -0.140846D+01 -0.143692D+02 -0.661021D+01 -0.245155D+01
      3  -0.181810D+02 -0.786153D+01 -0.485740D+01 -0.559655D+01  0.323878D+00
      4  -0.711732D+01 -0.170448D+02  0.363660D+01  0.216567D+02  0.660170D+01
      5  -0.158706D+02 -0.149612D+02  0.489227D+01  0.486503D+01  0.674645D+01
      6  -0.226980D+02 -0.174876D+02  0.141957D+01 -0.757264D+00 -0.212698D+01
                31            32            33            34            35 
      1   0.145262D+02  0.302894D+02  0.929358D+01  0.865417D+01  0.839510D+01
      2  -0.104071D+02 -0.211390D+02 -0.352723D+01 -0.786852D+01 -0.649951D+01
      3  -0.411911D+01 -0.915044D+01 -0.576635D+01 -0.785647D+00 -0.189559D+01
      4   0.253387D+02  0.550288D+02  0.130182D+01  0.691831D+01  0.418327D+01
      5   0.752252D+01 -0.405838D+00  0.131043D+02  0.167454D+02  0.101183D+02
      6  -0.147263D+01  0.466062D+01  0.302006D+01 -0.109982D+00  0.955492D+01
                36            37            38            39            40 
      1   0.741608D+01 -0.213543D+02  0.249161D+01 -0.377138D+01  0.112560D+02
      2  -0.126988D+02  0.161876D+02 -0.275070D+01  0.495416D+00 -0.782218D+01
      3   0.528270D+01  0.516665D+01  0.259093D+00  0.327597D+01 -0.343385D+01
      4   0.743845D+01  0.418736D+01 -0.235934D+02 -0.200481D+02 -0.379644D+02
      5   0.897844D+01 -0.690439D+01 -0.213928D+02 -0.169506D+02 -0.191060D+02
      6  -0.109893D+01 -0.866988D+01 -0.475529D+01 -0.485455D+01  0.261125D+01
                41            42            43            44            45 
      1  -0.253854D+02 -0.244343D+02 -0.114966D+02 -0.300434D+02 -0.196712D+02
      2   0.115927D+02  0.166440D+02  0.567563D+01  0.215726D+02  0.821162D+01
      3   0.137927D+02  0.779030D+01  0.582098D+01  0.847077D+01  0.114596D+02
      4  -0.285823D+02  0.160912D+02 -0.224147D+02  0.148748D+02 -0.279675D+02
      5   0.204553D+02 -0.193278D+02 -0.362956D+02 -0.327337D+02 -0.106079D+02
      6   0.120076D+02 -0.142978D+02 -0.127442D+02 -0.214060D+02 -0.944928D+00
                46            47            48            49            50 
      1  -0.213914D+02 -0.121914D+02 -0.101921D+01 -0.285054D+02 -0.427445D+02
      2   0.130017D+02  0.137201D+02  0.236694D+01  0.255799D+02  0.389738D+02
      3   0.838977D+01 -0.152865D+01 -0.134773D+01  0.292550D+01  0.377072D+01
      4   0.761481D+01 -0.167029D+02 -0.132453D+02 -0.254162D+02 -0.373322D+02
      5   0.103976D+02 -0.105363D+02 -0.353391D+01 -0.988115D+01  0.780490D+01
      6  -0.765303D+01  0.818161D+01  0.300470D+01  0.883433D+01 -0.120173D+02
                51            52            53            54            55 
      1  -0.447045D+01 -0.353168D+01 -0.890447D+01 -0.160432D+02  0.587123D+01
      2   0.363244D+00  0.344607D+01 -0.395043D+01  0.255282D+01 -0.529655D+01
      3   0.410721D+01  0.856129D-01  0.128549D+02  0.134904D+02 -0.574684D+00
      4   0.100723D+02 -0.198974D+02  0.135487D+02 -0.907265D+01  0.280720D+00
      5  -0.107211D+02 -0.106782D+01 -0.886878D+01 -0.144962D+01 -0.420949D+01
      6   0.298092D+01  0.526240D+01  0.163518D+02  0.747994D+00 -0.230826D+01
                56            57            58            59            60 
      1   0.104273D+02  0.765100D+01  0.123764D+02  0.448622D+02 -0.447154D+01
      2  -0.120570D+02 -0.104508D+02 -0.129993D+02 -0.482053D+02  0.967987D+01
      3   0.162968D+01  0.279982D+01  0.622891D+00  0.334318D+01 -0.520833D+01
      4   0.962789D+00  0.146289D+00  0.777606D+01  0.352254D+01 -0.113228D+02
      5  -0.572039D+00 -0.409379D+01  0.258416D+00 -0.713692D+01  0.646961D+00
      6  -0.109190D+02 -0.338325D+01 -0.620302D+01  0.128926D+02 -0.182789D+02
                61            62            63            64            65 
      1   0.870603D+01 -0.750932D+01  0.244468D+02 -0.202345D+01  0.460040D+01
      2  -0.787114D+01  0.146855D+02 -0.279827D+02 -0.456413D+01 -0.452025D+01
      3  -0.834892D+00 -0.717618D+01  0.353598D+01  0.658758D+01 -0.801477D-01
      4  -0.191015D+01 -0.135185D+02 -0.368467D+01  0.419565D+01  0.582815D+01
      5  -0.201008D+01 -0.448613D+01 -0.387724D+01  0.140761D+02 -0.746991D+00
      6  -0.109319D+02 -0.401313D+02 -0.740911D+01 -0.173691D+01  0.470021D+01
                66            67            68            69            70 
      1   0.125787D+02  0.716618D+01  0.145591D+02  0.106381D+01  0.224297D+02
      2  -0.964266D+01 -0.527291D+01 -0.850571D+01 -0.262983D+01 -0.149576D+02
      3  -0.293609D+01 -0.189327D+01 -0.605335D+01  0.156602D+01 -0.747209D+01
      4  -0.325844D+01  0.204582D+02 -0.161180D+02  0.834740D+01 -0.477062D+01
      5   0.149879D+02 -0.867623D-01  0.898513D+01  0.255025D+01  0.207986D+02
      6  -0.428022D+00  0.126930D+01 -0.599235D+01  0.384661D+01 -0.267716D+01
                71            72            73            74            75 
      1  -0.174502D+01  0.149605D+02  0.181318D+01  0.626754D+00  0.327577D+01
      2  -0.104242D+01 -0.118259D+02 -0.459069D+01  0.940316D+00  0.382213D+01
      3   0.278744D+01 -0.313455D+01  0.277751D+01 -0.156707D+01 -0.709789D+01
      4   0.674732D+01 -0.715510D+00 -0.716030D+01  0.713071D+01  0.553070D+01
      5   0.110092D+01 -0.224972D+01 -0.860894D+01  0.565305D+01  0.135247D+02
      6   0.504865D+01  0.136237D+01  0.542294D+01 -0.428218D+01 -0.634998D+01
                76            77            78            79            80 
      1   0.128200D+01 -0.937368D+01 -0.924357D+01  0.345682D+01 -0.828350D+01
      2   0.715700D+00  0.364857D+01  0.834844D+00  0.380217D+01 -0.175686D+01
      3  -0.199770D+01  0.572511D+01  0.840873D+01 -0.725898D+01  0.100404D+02
      4   0.410775D+01 -0.474902D+01 -0.592312D+01  0.523572D+01 -0.635297D+01
      5   0.434195D+01 -0.604392D+01 -0.736469D+01  0.974721D+01 -0.801973D+01
      6  -0.345844D+01  0.999490D+01  0.130091D+02 -0.540624D+01  0.128261D+02
                81            82            83            84            85 
      1  -0.192199D+02  0.906148D+01  0.598762D+00 -0.300884D+00 -0.183611D+01
      2  -0.996078D+01 -0.654602D+01  0.630046D+00  0.227741D+01  0.158355D+01
      3   0.291807D+02 -0.251547D+01 -0.122881D+01 -0.197652D+01  0.252563D+00
      4  -0.932870D+01  0.148732D+02  0.136731D+02 -0.103627D+02  0.101725D+02
      5  -0.171689D+02 -0.129725D+02 -0.909668D+01  0.138100D+02 -0.695418D+01
      6   0.190091D+02 -0.877647D+01 -0.791505D+01  0.836276D+01 -0.708479D+01
                86            87            88            89            90 
      1  -0.675853D+01  0.349483D+01 -0.902400D+00  0.290101D+01 -0.577388D+01
      2   0.802740D+01 -0.208660D+01  0.342990D+01 -0.118303D+00 -0.383239D+01
      3  -0.126887D+01 -0.140823D+01 -0.252750D+01 -0.278270D+01  0.960627D+01
      4   0.139578D+02 -0.964531D+01 -0.976479D+01 -0.102518D+02  0.113726D+02
      5  -0.880780D+01  0.681192D+01  0.116893D+02  0.968091D+01 -0.138177D+02
      6  -0.125182D+02  0.113569D+02  0.926143D+01  0.128657D+02 -0.145876D+02
                91            92            93            94            95 
      1   0.363902D+02  0.131859D+02  0.160313D+02  0.152868D+02  0.126187D+02
      2  -0.198363D+02 -0.528246D+01 -0.814714D+01 -0.561004D+01 -0.302365D+01
      3  -0.165539D+02 -0.790340D+01 -0.788418D+01 -0.967675D+01 -0.959501D+01
      4   0.172289D+02  0.139366D+02  0.108763D+02  0.229820D+02  0.221826D+02
      5   0.203829D+02  0.109109D+02  0.180894D+02  0.106635D+02  0.943565D+01
      6   0.651544D+01  0.341769D+01  0.455239D+01  0.471863D+01  0.443549D+01
                96            97            98            99           100 
      1   0.697482D+01  0.357134D+02  0.159713D+02  0.166358D+02  0.512064D+02
      2  -0.199049D+01 -0.205425D+02 -0.799657D+01 -0.126746D+02 -0.296312D+02
      3  -0.498433D+01 -0.151708D+02 -0.797473D+01 -0.396118D+01 -0.215752D+02
      4   0.970051D+01  0.231682D+02  0.180880D+02  0.197329D+02 -0.151864D+02
      5   0.134307D+02  0.319977D+02  0.224330D+02  0.353520D+02 -0.161946D+02
      6   0.808191D+01  0.105372D+02  0.117586D+02  0.112960D+02  0.133308D+01
               101           102           103           104           105 
      1  -0.162909D+02 -0.121582D+02 -0.362533D+02  0.137982D+02  0.950900D+01
      2   0.103235D+02  0.875159D+01  0.207357D+02 -0.722888D+01 -0.737303D+01
      3   0.596737D+01  0.340665D+01  0.155176D+02 -0.656928D+01 -0.213597D+01
      4   0.124440D+02  0.538825D+01  0.189196D+02 -0.170340D+02 -0.748713D+01
      5   0.652116D+01  0.139533D+02  0.132530D+02 -0.801738D+01 -0.973100D+01
      6  -0.467734D+00  0.399935D+00 -0.192244D+01  0.188439D+01  0.291571D+01
               106           107           108           109           110 
      1  -0.179879D+02  0.672878D+01  0.111129D+02  0.462415D+01  0.712965D+01
      2   0.130167D+02 -0.578232D+01 -0.962467D+01 -0.255509D+01 -0.436892D+01
      3   0.497120D+01 -0.946460D+00 -0.148826D+01 -0.206906D+01 -0.276073D+01
      4   0.647916D+01 -0.689266D+01 -0.381284D+01  0.512863D+01  0.493954D+01
      5   0.185505D+02 -0.427282D+01 -0.122263D+02 -0.303206D+01 -0.265979D+00
      6  -0.884425D+00  0.371310D+01  0.115964D+01 -0.194710D+01  0.139585D+01
               111           112           113           114           115 
      1  -0.423839D+01  0.136270D+02 -0.143686D+01  0.537017D+01 -0.784036D+01
      2   0.198916D+01 -0.442401D+01  0.123686D+02 -0.563296D+01  0.447059D+01
      3   0.224923D+01 -0.920303D+01 -0.109317D+02  0.262797D+00  0.336977D+01
      4  -0.639246D+00  0.227001D+02  0.419416D+02 -0.194365D+02 -0.906308D+01
      5   0.480553D+01 -0.830327D+01 -0.221041D+02  0.184974D+02  0.172090D+02
      6   0.471253D+00 -0.734769D+01 -0.194424D+02  0.140628D+02  0.815057D+01
               116           117           118           119           120 
      1   0.682493D+01 -0.982157D+00 -0.285244D+01 -0.666952D+01 -0.481802D+01
      2  -0.630614D+01 -0.207429D+01  0.303445D+01  0.864522D+01  0.489009D+01
      3  -0.518791D+00  0.305644D+01 -0.182007D+00 -0.197570D+01 -0.720704D-01
      4  -0.232239D+02  0.200659D+02  0.608562D+01  0.900338D+01  0.525845D+01
      5   0.236079D+02 -0.200286D+02  0.250278D+01  0.368712D+01  0.527914D+01
      6   0.179007D+02 -0.137523D+02  0.742052D+01  0.784296D+01  0.596690D+01
               121           122           123           124           125 
      1  -0.615811D+01 -0.255141D+02 -0.936860D+01 -0.777045D+01 -0.205967D+02
      2   0.792682D+01  0.308328D+02  0.105648D+02  0.645516D+01  0.202960D+02
      3  -0.176871D+01 -0.531864D+01 -0.119622D+01  0.131529D+01  0.300786D+00
      4   0.382149D+01  0.413745D+01  0.373613D+01  0.595403D+01  0.611432D+01
      5   0.169260D+01  0.293809D+01  0.124674D+01  0.540860D+01  0.440888D+01
      6   0.457925D+01  0.153866D+02  0.152313D+02  0.850597D+01  0.290726D+02
               126           127           128           129           130 
      1  -0.202609D+02 -0.110571D+01  0.298384D+01 -0.212176D+01 -0.422846D+01
      2   0.151150D+02  0.440027D+01 -0.592631D+01  0.253335D+01  0.226280D+01
      3   0.514592D+01 -0.329456D+01  0.294247D+01 -0.411589D+00  0.196566D+01
      4   0.473730D+01 -0.375113D+01  0.113387D+02 -0.374019D+01  0.541926D+01
      5   0.314155D+01  0.249874D+01 -0.235381D+01  0.408628D+01 -0.191111D+01
      6   0.245066D+02 -0.439214D+01  0.508882D+01 -0.660020D+00  0.199635D+00
               131           132           133           134           135 
      1  -0.455010D+02  0.146964D+02  0.515098D+00  0.244850D+02 -0.178328D+02
      2   0.629942D+02 -0.190658D+02  0.696020D+00 -0.292813D+02  0.167115D+02
      3  -0.174933D+02  0.436941D+01 -0.121112D+01  0.479630D+01  0.112125D+01
      4  -0.999968D+01  0.442970D+01 -0.353668D+01  0.566576D+01 -0.323773D+01
      5   0.316594D+01 -0.141943D+01  0.331748D+01 -0.164534D+01  0.231302D+01
      6  -0.291441D+02  0.169744D+02  0.248227D+01  0.291320D+02 -0.169177D+02
               136           137           138           139           140 
      1   0.162633D+02 -0.480917D+01 -0.707372D+00 -0.783190D+01  0.722599D+01
      2  -0.957722D+00  0.707000D+01  0.899966D+01  0.116959D+02 -0.233924D+01
      3  -0.153056D+02 -0.226083D+01 -0.829229D+01 -0.386399D+01 -0.488674D+01
      4  -0.890255D+01 -0.358468D+01 -0.202697D+01 -0.100080D+02  0.159359D+02
      5   0.827100D-01 -0.680732D+01 -0.153293D+02 -0.833276D+01 -0.209997D+02
      6  -0.518378D+01 -0.922228D+01 -0.326650D+01 -0.140480D+02  0.207333D+02
               141           142           143           144           145 
      1  -0.474600D+01 -0.397467D+00 -0.246554D+01 -0.103340D+02  0.468565D+01
      2   0.153021D+02  0.811181D+01  0.116696D+02  0.408724D+01 -0.175738D+01
      3  -0.105561D+02 -0.771434D+01 -0.920403D+01  0.624677D+01 -0.292827D+01
      4  -0.173677D+02 -0.722891D+00 -0.108047D+02 -0.394133D+01 -0.169723D+02
      5  -0.949539D+01 -0.218752D+02 -0.646856D+01 -0.108436D+02 -0.211393D+02
      6  -0.197469D+02 -0.236215D+01 -0.163311D+02 -0.850873D+01  0.674859D+00
               146           147           148           149           150 
      1  -0.181053D+02 -0.182796D+02 -0.237842D+02 -0.231625D+02 -0.815699D+01
      2   0.148310D+02  0.744097D+01  0.218266D+02  0.389199D+00  0.705773D+01
      3   0.327429D+01  0.108387D+02  0.195759D+01  0.227733D+02  0.109926D+01
      4  -0.246422D+02 -0.352046D+01 -0.418611D+02  0.367791D+02 -0.172463D+02
      5  -0.385027D+01 -0.196306D+02 -0.608010D+01 -0.155663D+02 -0.119733D+02
      6  -0.197264D+01  0.712810D+00 -0.272963D+01  0.260424D+01 -0.152802D+01
               151           152           153           154           155 
      1  -0.249366D+02 -0.766519D+01 -0.208720D+02 -0.888614D+01  0.124211D-01
      2   0.804474D+01  0.645238D+01  0.175820D+02  0.247028D+01 -0.416414D+00
      3   0.168919D+02  0.121281D+01  0.328995D+01  0.641586D+01  0.403993D+00
      4  -0.489854D+01 -0.187813D+02 -0.961599D+01  0.583814D+01 -0.885049D-02
      5  -0.266976D+02 -0.103678D+02  0.315637D+02 -0.148715D+02  0.181610D+01
      6   0.840761D+00  0.123302D+01 -0.385299D+01  0.184215D+01 -0.320677D+01
               156           157           158           159           160 
      1   0.938848D+01  0.172961D+01 -0.227355D+01 -0.141887D+01  0.476913D+01
      2   0.283375D+01 -0.201222D+01  0.116654D+01 -0.215529D+01  0.230176D+01
      3  -0.122222D+02  0.282616D+00  0.110701D+01  0.357416D+01 -0.707089D+01
      4  -0.109592D+01  0.161017D+01 -0.657590D+00  0.136781D+01 -0.952686D+00
      5   0.322319D+01  0.259708D+01  0.745654D+00  0.163577D+01  0.713943D+01
      6   0.178463D+01 -0.127818D+01 -0.847825D+00  0.371147D+01  0.413691D+00
               161           162           163           164           165 
      1  -0.826504D+00 -0.371212D+01  0.728142D+01  0.302699D+01  0.144545D+01
      2  -0.105345D+01 -0.273525D+01 -0.117713D+02 -0.488708D+01 -0.127570D+02
      3   0.187996D+01  0.644737D+01  0.448987D+01  0.186009D+01  0.113115D+02
      4  -0.450479D+00  0.126187D+01  0.625604D+01  0.640294D+01  0.467716D+01
      5   0.363567D+00 -0.413519D+01  0.188718D+02  0.793647D+01  0.221793D+02
      6   0.296144D+01  0.113773D+01  0.596842D+01  0.672400D+01  0.524720D+01
               166           167           168           169           170 
      1   0.416984D+01 -0.239201D+01 -0.405401D+01  0.198229D+00 -0.226922D+01
      2  -0.716209D+01 -0.249473D+01 -0.104651D+02 -0.997729D+01 -0.634074D+01
      3   0.299225D+01  0.488674D+01  0.145191D+02  0.977906D+01  0.860995D+01
      4   0.752362D+01  0.656558D+01  0.920742D+01  0.311248D+01  0.556353D+01
      5   0.125434D+02  0.117299D+02  0.166059D+02  0.171838D+02  0.843953D+01
      6   0.803582D+01  0.842650D+01  0.137922D+02  0.458317D+01  0.946789D+01
               171           172           173           174           175 
      1  -0.799635D+01 -0.140616D+00 -0.123850D+01 -0.590502D-01 -0.374971D+00
      2  -0.181592D+02  0.112312D+00 -0.894232D+00 -0.224118D+01 -0.217937D+01
      3   0.261556D+02  0.283041D-01  0.213273D+01  0.230023D+01  0.255434D+01
      4   0.630508D+01 -0.545694D+01  0.922968D+01 -0.424885D+01  0.112735D+02
      5   0.250148D+02  0.541151D+01 -0.553135D+01  0.833005D+01 -0.730568D+01
      6   0.107449D+02 -0.486026D+01  0.617527D+01 -0.300939D+01  0.878607D+01
               176           177           178           179           180 
      1  -0.162663D+02  0.124816D+02 -0.102424D+01  0.730074D+01 -0.733094D+01
      2   0.175377D+02 -0.459633D+01 -0.170819D+01 -0.122839D+01 -0.112519D+01
      3  -0.127139D+01 -0.788526D+01  0.273243D+01 -0.607235D+01  0.845613D+01
      4  -0.224449D+02  0.121070D+02 -0.184961D+01  0.572228D+01 -0.512839D+01
      5   0.136531D+02 -0.102211D+02  0.628829D+01 -0.497257D+01  0.785150D+01
      6  -0.316502D+02  0.228432D+02 -0.285453D+01  0.144849D+02 -0.115672D+02
               181           182           183           184           185 
      1   0.110151D+02  0.266033D+01 -0.964928D+01  0.595678D+01  0.308476D+01
      2  -0.849137D+01 -0.191777D+01  0.702095D+01 -0.424878D+01 -0.109151D+01
      3  -0.252378D+01 -0.742563D+00  0.262833D+01 -0.170800D+01 -0.199326D+01
      4   0.173723D+01  0.440291D+01  0.356321D+00  0.787554D+01 -0.123129D+01
      5  -0.116556D+02 -0.475063D+00  0.159094D+02 -0.195700D+01 -0.389275D+01
      6   0.622684D+00 -0.276378D+00 -0.108034D+01 -0.142737D+01 -0.656107D+00
               186           187           188           189           190 
      1  -0.416168D+00 -0.189293D+02  0.514168D+00  0.992005D+01  0.166686D+02
      2   0.123616D+01  0.145692D+02  0.927872D+00 -0.189768D+02 -0.411751D+01
      3  -0.819987D+00  0.436003D+01 -0.144204D+01  0.905670D+01 -0.125511D+02
      4  -0.415345D+01  0.174096D+01 -0.648987D+01  0.263209D+01 -0.155476D+02
      5   0.594740D+01  0.265716D+02  0.338037D+01 -0.481585D+02  0.393384D+01
      6   0.408948D+01 -0.208914D+01  0.358957D+01  0.446154D+01 -0.964432D+00
               191           192           193           194           195 
      1  -0.104455D+02  0.387998D+01 -0.209989D+02  0.946443D+01  0.174206D+00
      2   0.131979D+01 -0.131048D+01  0.919410D-02  0.163546D+02 -0.250559D+01
      3   0.912574D+01 -0.256950D+01  0.209897D+02 -0.258190D+02  0.233139D+01
      4   0.198418D+02 -0.252002D+01  0.386162D+02 -0.564070D+02  0.912720D+01
      5  -0.184398D+01  0.534842D+01 -0.236955D+01  0.768375D+01 -0.901339D+01
      6   0.601820D+00 -0.578787D+00  0.143547D+01 -0.234446D+01  0.623215D+01
               196           197           198           199           200 
      1   0.883577D+01 -0.969152D+00  0.376969D+01  0.510792D+02  0.165392D+02
      2  -0.282684D+01 -0.176108D+01 -0.114452D+01 -0.265359D+02 -0.904364D+01
      3  -0.600892D+01  0.273023D+01 -0.262518D+01 -0.245433D+02 -0.749554D+01
      4  -0.611711D+01  0.109901D+02 -0.691046D+01  0.167632D+02  0.152622D+02
      5   0.995038D+01 -0.684951D+01  0.276020D+01  0.178604D+02  0.682332D+01
      6  -0.336572D+01  0.595524D+01 -0.267664D+01  0.108340D+01  0.539382D+00
               201           202           203           204           205 
      1   0.163387D+02  0.338821D+02  0.155765D+02  0.869052D+01  0.302890D+02
      2  -0.905170D+01 -0.172692D+02 -0.449051D+01 -0.536133D+01 -0.170957D+02
      3  -0.728697D+01 -0.166129D+02 -0.110860D+02 -0.332919D+01 -0.131932D+02
      4   0.668404D+01  0.242384D+02  0.154832D+02  0.108136D+02  0.911668D+01
      5   0.147966D+02  0.112815D+02  0.985444D+01  0.125862D+02  0.218144D+02
      6  -0.105039D+00  0.215767D+01  0.179647D+01  0.265885D+01  0.143574D+01
               206           207           208           209           210 
      1   0.741327D+01  0.144023D+02 -0.119623D+01  0.154992D+01 -0.195075D+01
      2  -0.506518D+01 -0.114709D+02  0.311075D+01 -0.180303D+01  0.613921D+00
      3  -0.234808D+01 -0.293133D+01 -0.191452D+01  0.253117D+00  0.133683D+01
      4   0.121151D+02  0.850245D+01  0.987986D+00  0.770690D+01 -0.634404D+00
      5   0.873674D+01  0.155378D+02 -0.145027D+01  0.258611D+00  0.327833D+01
      6   0.219997D+01  0.225002D+01 -0.204546D+01  0.646332D+00  0.960429D+00
               211           212           213           214           215 
      1  -0.100055D+01 -0.261753D+02  0.417604D+01 -0.203799D+01  0.119894D+02
      2   0.278392D+01  0.427657D+02 -0.886157D+01 -0.102004D+01 -0.207538D+02
      3  -0.178337D+01 -0.165904D+02  0.468553D+01  0.305803D+01  0.876445D+01
      4   0.628979D+01  0.148086D+02 -0.224599D+01 -0.276484D+01 -0.683131D+01
      5   0.206969D+00 -0.188672D+01  0.277344D+01  0.331456D+01  0.450988D+01
      6  -0.524358D+00 -0.810331D+01  0.733120D+01  0.232147D+01  0.132839D+02
               216           217           218           219           220 
      1  -0.604850D+01  0.329459D+01 -0.281077D+01 -0.172955D+01 -0.309723D+01
      2   0.614842D+01 -0.461384D+01 -0.151048D+00 -0.271408D+01  0.212420D+01
      3  -0.999208D-01  0.131926D+01  0.296182D+01  0.444362D+01  0.973031D+00
      4   0.519807D+01  0.754534D+01  0.105066D+02  0.963698D+01  0.606987D+01
      5  -0.836326D+00  0.111134D+02  0.874966D+01  0.127714D+02  0.383072D+01
      6  -0.421700D+01  0.745558D+01  0.901830D+01  0.847149D+01  0.562500D+01
               221           222           223           224           225 
      1  -0.113709D+02 -0.705928D+01 -0.238779D+01 -0.112582D+02 -0.179372D+02
      2   0.892405D+01  0.278960D+01 -0.214097D+01 -0.112473D+01 -0.572407D+01
      3   0.244688D+01  0.426968D+01  0.452877D+01  0.123829D+02  0.236613D+02
      4   0.107142D+02  0.799988D+01  0.928547D+01  0.111359D+02  0.149657D+02
      5   0.813800D+01  0.725282D+01  0.123738D+02  0.138795D+02  0.215670D+02
      6   0.127080D+02  0.143577D+02  0.945443D+01  0.218842D+02  0.262852D+02
               226           227           228           229           230 
      1   0.185684D+02 -0.958942D+01 -0.389159D+01 -0.672080D+01 -0.369734D+01
      2  -0.408664D+01 -0.109273D-01  0.163807D+01 -0.259860D+01  0.140289D+02
      3  -0.144817D+02  0.960034D+01  0.225353D+01  0.931940D+01 -0.103315D+02
      4  -0.289069D+02  0.237075D+02  0.108846D+02  0.205043D+02 -0.281533D+02
      5  -0.109410D+02  0.871614D+01  0.927490D+01  0.588093D+01 -0.836812D+01
      6   0.663971D+01 -0.704216D+01 -0.556701D+01 -0.575861D+01  0.983033D+01
               231           232           233           234 
      1  -0.150788D+01 -0.431393D+01  0.116082D+01  0.253846D+01
      2   0.313799D+01  0.147722D+01  0.424857D+01 -0.101767D+01
      3  -0.163011D+01  0.283672D+01 -0.540939D+01 -0.152079D+01
      4  -0.102373D+02  0.125452D+02 -0.153990D+02 -0.709951D+01
      5  -0.587879D+01  0.967875D+01 -0.464229D+01 -0.695642D+01
      6   0.685235D+01 -0.651701D+01  0.455452D+01  0.568306D+01
 Leave Link  716 at Thu Jul 22 19:35:47 2021, MaxMem=  5637144576 cpu:               0.3 elap:               0.1
 (Enter /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l9999.exe)
 AllDun F.D. properties on file 20721 Mask=       B NFrqRd=     1 NDeriv=     1 ND12= 1 LenFil=      39:
 Frequencies=    0.085645
 Property number 1 -- Alpha(-w,w) frequency  1    0.085645:
                 1             2             3 
      1   0.134693D+03  0.447263D+01  0.383406D+00
      2   0.447263D+01  0.122630D+03  0.249642D+01
      3   0.383406D+00  0.249642D+01  0.102748D+03
 Property number 2 -- FD Optical Rotation Tensor frequency  1    0.085645:
                 1             2             3 
      1   0.119922D+01 -0.114630D-01  0.338920D+01
      2   0.988709D+01 -0.833083D+01  0.110015D+02
      3   0.196688D+02  0.293435D+02  0.665288D+01
 Property number 4 -- D-Q polarizability frequency  1    0.085645:
                 1             2             3 
      1  -0.210010D+02 -0.522645D+02  0.818575D+01
      2   0.124541D+01  0.505894D+02 -0.128746D+02
      3   0.197556D+02  0.167513D+01  0.468887D+01
      4  -0.464071D+02 -0.496054D+02 -0.224489D+02
      5   0.229939D+02 -0.202319D+02  0.351354D+02
      6  -0.105649D+02  0.536362D+01 -0.209446D+02
 AllDun F.D. properties on file 20722 Mask=       B NFrqRd=     1 NDeriv=    78 ND12= 1 LenFil=    2811:
 Frequencies=    0.085645
 Property number 1 -- Alpha(-w,w) derivatives, frequency  1    0.085645:
                 1             2             3             4             5 
      1  -0.292033D+01 -0.690659D+00 -0.200386D+01  0.141729D+00 -0.215728D+01
      2  -0.690659D+00 -0.485435D+00 -0.139424D+01 -0.215728D+01 -0.473732D+01
      3  -0.200386D+01 -0.139424D+01 -0.459166D+01 -0.131652D+00 -0.363669D-01
                 6             7             8             9            10 
      1  -0.131652D+00 -0.418470D+01 -0.276578D+01 -0.443110D+01 -0.238008D+01
      2  -0.363669D-01 -0.276578D+01  0.192091D+01  0.115082D+01  0.131038D+01
      3   0.154343D+01 -0.443110D+01  0.115082D+01  0.192640D+00 -0.266587D-01
                11            12            13            14            15 
      1   0.131038D+01 -0.266587D-01  0.597953D+00 -0.220602D+01  0.135804D+01
      2  -0.135941D+01  0.326078D+01 -0.220602D+01  0.582043D+01  0.633669D+00
      3   0.326078D+01 -0.290647D+01  0.135804D+01  0.633669D+00  0.691939D+00
                16            17            18            19            20 
      1  -0.431632D+00  0.514206D+01 -0.233241D+01 -0.826276D-01 -0.104293D+01
      2   0.514206D+01  0.569356D+00  0.108128D+01 -0.104293D+01 -0.100214D+01
      3  -0.233241D+01  0.108128D+01  0.821322D-02  0.609107D+00  0.129090D+01
                21            22            23            24            25 
      1   0.609107D+00 -0.141826D+01  0.446611D+00  0.109961D+01  0.102325D+01
      2   0.129090D+01  0.446611D+00  0.102407D+02 -0.280834D+00  0.950422D+00
      3   0.164083D+01  0.109961D+01 -0.280834D+00  0.252198D+01  0.319635D+01
                26            27            28            29            30 
      1   0.950422D+00  0.319635D+01 -0.525347D+01 -0.283081D+01 -0.427380D+00
      2  -0.932654D+00  0.512823D+01 -0.283081D+01 -0.362595D+01 -0.877271D+00
      3   0.512823D+01  0.377694D+01 -0.427380D+00 -0.877271D+00 -0.120785D+01
                31            32            33            34            35 
      1  -0.427694D+01 -0.651290D+01 -0.217584D+01 -0.111297D+01 -0.166597D+01
      2  -0.651290D+01 -0.185933D+02 -0.790177D+00 -0.166597D+01 -0.181817D+01
      3  -0.217584D+01 -0.790177D+00 -0.390492D+01 -0.263006D+01 -0.301365D+01
                36            37            38            39            40 
      1  -0.263006D+01  0.350004D+01  0.914155D+00  0.916585D+00 -0.169303D+00
      2  -0.301365D+01  0.914155D+00  0.436991D+01  0.273731D+01  0.658851D+01
      3  -0.163459D+01  0.916585D+00  0.273731D+01  0.203097D+01  0.223024D+01
                41            42            43            44            45 
      1   0.658851D+01  0.223024D+01  0.140946D+01  0.253657D+01  0.441726D+01
      2   0.554409D+01 -0.307974D+01  0.253657D+01 -0.331316D+01  0.443298D+01
      3  -0.307974D+01  0.256622D+01  0.441726D+01  0.443298D+01  0.130667D+01
                46            47            48            49            50 
      1   0.557129D+01  0.203112D+01 -0.517931D+00  0.421472D+01  0.741095D+01
      2   0.203112D+01  0.699592D+01  0.270336D+01  0.741095D+01  0.153270D+02
      3  -0.517931D+00  0.270336D+01  0.158423D+01  0.264979D+01 -0.722602D+00
                51            52            53            54            55 
      1   0.264979D+01  0.190701D+00  0.335306D+01  0.185573D+01 -0.150821D+01
      2  -0.722602D+00  0.335306D+01 -0.982989D+00  0.345056D+01 -0.171678D+01
      3   0.307817D+01  0.185573D+01  0.345056D+01  0.196588D+01 -0.574742D+00
                56            57            58            59            60 
      1  -0.171678D+01 -0.574742D+00 -0.174036D+01 -0.394032D+01 -0.165367D+01
      2  -0.371897D+01 -0.236020D+01 -0.394032D+01 -0.942615D+01  0.114916D+01
      3  -0.236020D+01 -0.797219D+00 -0.165367D+01  0.114916D+01 -0.283841D+01
                61            62            63            64            65 
      1  -0.591617D+00 -0.223913D+01 -0.124378D+01  0.314227D+01  0.113646D+00
      2  -0.223913D+01  0.118678D+01 -0.603070D+01  0.113646D+00  0.149062D+01
      3  -0.124378D+01 -0.603070D+01 -0.181641D+01  0.422262D+01 -0.740098D+00
                66            67            68            69            70 
      1   0.422262D+01  0.143861D+00  0.557291D+01 -0.917116D-01  0.731927D+01
      2  -0.740098D+00  0.557291D+01 -0.439299D+01  0.264763D+01 -0.813188D+00
      3   0.455286D+01 -0.917116D-01  0.264763D+01  0.173195D+00  0.509413D+01
                71            72            73            74            75 
      1  -0.813188D+00  0.509413D+01  0.184330D+01 -0.135861D+01 -0.150545D+01
      2   0.227023D+01  0.139667D+00 -0.135861D+01  0.912230D+00  0.993465D+00
      3   0.139667D+00 -0.312526D+00 -0.150545D+01  0.993465D+00  0.270087D+01
                76            77            78            79            80 
      1  -0.127775D+01  0.524106D+00  0.565399D+00 -0.193870D+01  0.103572D+01
      2   0.524106D+00 -0.164773D+01 -0.208539D+01  0.103572D+01 -0.222212D+01
      3   0.565399D+00 -0.208539D+01 -0.285914D+01  0.216201D+01 -0.293829D+01
                81            82            83            84            85 
      1   0.216201D+01  0.367983D+01  0.185177D+01 -0.188770D+01  0.162726D+01
      2  -0.293829D+01  0.185177D+01  0.193588D+01 -0.187055D+01  0.132501D+01
      3  -0.637116D+01 -0.188770D+01 -0.187055D+01  0.252597D+01 -0.136770D+01
                86            87            88            89            90 
      1   0.132501D+01 -0.136770D+01 -0.255228D+01 -0.185744D+01  0.225117D+01
      2   0.331298D+01 -0.208856D+01 -0.185744D+01 -0.222811D+01  0.217444D+01
      3  -0.208856D+01  0.179294D+01  0.225117D+01  0.217444D+01 -0.333845D+01
                91            92            93            94            95 
      1  -0.473966D+01 -0.201244D+01 -0.224243D+01 -0.273650D+01 -0.306309D+01
      2  -0.201244D+01 -0.145982D+01 -0.121670D+01 -0.306309D+01 -0.315173D+01
      3  -0.224243D+01 -0.121670D+01 -0.183764D+01 -0.119481D+01 -0.116704D+01
                96            97            98            99           100 
      1  -0.119481D+01 -0.544365D+01 -0.295800D+01 -0.351000D+01 -0.601215D+01
      2  -0.116704D+01 -0.295800D+01 -0.231149D+01 -0.284841D+01  0.191381D+01
      3  -0.171584D+01 -0.351000D+01 -0.284841D+01 -0.448343D+01  0.156909D+01
               101           102           103           104           105 
      1   0.191381D+01  0.156909D+01  0.503270D+01 -0.209530D+01 -0.148884D+01
      2  -0.132420D+01 -0.682594D+00 -0.209530D+01  0.194663D+01  0.973492D+00
      3  -0.682594D+00 -0.132677D+01 -0.148884D+01  0.973492D+00  0.105787D+01
               106           107           108           109           110 
      1   0.249934D+01 -0.858155D+00 -0.202360D+01 -0.532677D+00 -0.823214D+00
      2  -0.858155D+00  0.913597D+00  0.434520D+00 -0.823214D+00  0.996614D-01
      3  -0.202360D+01  0.434520D+00  0.140912D+01  0.458433D+00 -0.294233D+00
               111           112           113           114           115 
      1   0.458433D+00 -0.322215D+01 -0.328055D+01  0.928844D+00  0.191605D+01
      2  -0.294233D+00 -0.328055D+01 -0.708752D+01  0.329921D+01  0.121945D+01
      3  -0.218225D+00  0.928844D+00  0.329921D+01 -0.255142D+01 -0.192192D+01
               116           117           118           119           120 
      1   0.121945D+01 -0.192192D+01  0.181016D+01  0.142052D+01  0.130108D+01
      2   0.389698D+01 -0.343708D+01  0.142052D+01  0.195203D+01  0.137230D+01
      3  -0.343708D+01  0.300368D+01  0.130108D+01  0.137230D+01  0.115040D+01
               121           122           123           124           125 
      1   0.146466D+01  0.190385D+01  0.709573D+00  0.272380D+01  0.160712D+01
      2   0.190385D+01  0.618649D+01  0.232191D+01  0.160712D+01  0.496870D+01
      3   0.709573D+00  0.232191D+01  0.195620D+01  0.140247D+01  0.443193D+01
               126           127           128           129           130 
      1   0.140247D+01 -0.331133D+00  0.115828D+01 -0.681683D+00  0.190300D+01
      2   0.443193D+01  0.115828D+01 -0.951240D+00  0.653097D+00  0.813256D+00
      3   0.442986D+01 -0.681683D+00  0.653097D+00 -0.109647D+00  0.121383D+00
               131           132           133           134           135 
      1   0.813256D+00  0.121383D+00 -0.150183D+01  0.246938D+00  0.300516D+00
      2   0.107845D+02 -0.350571D+01  0.246938D+00 -0.535699D+01  0.392193D+01
      3  -0.350571D+01  0.208063D+01  0.300516D+00  0.392193D+01 -0.234921D+01
               136           137           138           139           140 
      1   0.569260D+01 -0.198083D+01 -0.255795D+01 -0.240372D+01 -0.305825D+01
      2  -0.198083D+01 -0.183833D+01 -0.751294D+00 -0.305825D+01  0.485301D+01
      3  -0.255795D+01 -0.751294D+00 -0.309574D+01 -0.803444D+00 -0.495553D+01
               141           142           143           144           145 
      1  -0.803444D+00 -0.312985D+01 -0.402594D+00 -0.360094D+01 -0.684697D+00
      2  -0.495553D+01 -0.402594D+00 -0.342327D+01 -0.126502D+01 -0.165922D+01
      3  -0.175447D+01 -0.360094D+01 -0.126502D+01 -0.344491D-01 -0.301193D+01
               146           147           148           149           150 
      1  -0.165922D+01 -0.301193D+01 -0.204958D+01 -0.595609D+01 -0.664271D+00
      2  -0.331448D+01 -0.437768D+00 -0.595609D+01  0.543470D+01 -0.239877D+01
      3  -0.437768D+00 -0.248074D+01 -0.664271D+00 -0.239877D+01 -0.176734D+01
               151           152           153           154           155 
      1  -0.359510D+01 -0.654680D+00 -0.393227D+01 -0.757375D+01  0.110401D+01
      2  -0.654680D+00 -0.280235D+01 -0.162535D+01  0.110401D+01 -0.694821D+00
      3  -0.393227D+01 -0.162535D+01  0.516089D+01  0.795235D+00  0.388989D+00
               156           157           158           159           160 
      1   0.795235D+00  0.147539D+01 -0.333673D+00  0.230346D+00  0.945013D+00
      2   0.388989D+00 -0.333673D+00 -0.241375D+00  0.629952D+00  0.132179D+00
      3  -0.237236D+01  0.230346D+00  0.629952D+00  0.693049D+00 -0.112255D+01
               161           162           163           164           165 
      1   0.132179D+00 -0.112255D+01  0.254246D+01  0.128776D+01  0.267291D+01
      2   0.591388D+00  0.329572D+00  0.128776D+01  0.122150D+01  0.103243D+01
      3   0.329572D+00  0.100159D+01  0.267291D+01  0.103243D+01  0.359181D+01
               166           167           168           169           170 
      1   0.203065D+01  0.153570D+01  0.170580D+01  0.186248D+01  0.824084D+00
      2   0.153570D+01  0.148029D+01  0.239680D+01  0.824084D+00  0.144870D+01
      3   0.170580D+01  0.239680D+01  0.369511D+01  0.261282D+01  0.179567D+01
               171           172           173           174           175 
      1   0.261282D+01  0.649124D+00 -0.112845D+01  0.112552D+01 -0.141437D+01
      2   0.179567D+01 -0.112845D+01  0.133432D+01 -0.559237D+00  0.196762D+01
      3   0.528132D+01  0.112552D+01 -0.559237D+00  0.122572D+01 -0.915133D+00
               176           177           178           179           180 
      1   0.196762D+01 -0.915133D+00  0.533299D+00 -0.333969D+00  0.913135D+00
      2  -0.686367D+01  0.394842D+01 -0.333969D+00  0.187392D+01 -0.172265D+01
      3   0.394842D+01 -0.336881D+01  0.913135D+00 -0.172265D+01  0.218606D+01
               181           182           183           184           185 
      1   0.141217D+01  0.348276D+00 -0.139189D+01  0.830448D+00  0.974855D+00
      2   0.348276D+00  0.481122D+00  0.304400D-02  0.974855D+00 -0.195243D+00
      3  -0.139189D+01  0.304400D-02  0.153514D+01 -0.227709D+00 -0.594997D+00
               186           187           188           189           190 
      1  -0.227709D+00 -0.328357D+01  0.103359D+00  0.322109D+01  0.251791D+01
      2  -0.594997D+00  0.103359D+00 -0.821162D+00  0.507778D+00 -0.175131D+01
      3   0.876534D+00  0.322109D+01  0.507778D+00 -0.696242D+01  0.618168D+00
               191           192           193           194           195 
      1  -0.175131D+01  0.618168D+00 -0.452515D+01  0.470523D+01 -0.442209D+00
      2   0.177446D+01 -0.255743D+00  0.470523D+01 -0.773787D+01  0.129221D+01
      3  -0.255743D+00  0.409136D+00 -0.442209D+00  0.129221D+01 -0.114550D+01
               196           197           198           199           200 
      1   0.164975D+01 -0.757275D+00  0.125073D+01  0.649373D+01  0.197447D+01
      2  -0.757275D+00  0.148507D+01 -0.100357D+01  0.197447D+01  0.156023D+01
      3   0.125073D+01 -0.100357D+01  0.397187D+00  0.216161D+01  0.809681D+00
               201           202           203           204           205 
      1   0.216161D+01  0.488267D+01  0.287180D+01  0.141679D+01  0.458729D+01
      2   0.809681D+00  0.287180D+01  0.179929D+01  0.139050D+01  0.111512D+01
      3   0.152762D+01  0.141679D+01  0.139050D+01  0.160037D+01  0.261224D+01
               206           207           208           209           210 
      1   0.111512D+01  0.261224D+01  0.103861D+00 -0.976386D+00  0.413778D+00
      2   0.148399D+01  0.113982D+01 -0.976386D+00 -0.231388D-01 -0.398073D+00
      3   0.113982D+01  0.187598D+01  0.413778D+00 -0.398073D+00 -0.204894D+00
               211           212           213           214           215 
      1  -0.168631D+01 -0.541978D+00  0.117896D+00  0.157893D+01  0.205278D+00
      2  -0.541978D+00 -0.959598D+01  0.160803D+01  0.205278D+00  0.436120D+01
      3   0.117896D+00  0.160803D+01 -0.129630D+01 -0.594610D+00 -0.258256D+01
               216           217           218           219           220 
      1  -0.594610D+00 -0.187787D+01 -0.100150D+01 -0.186586D+01 -0.628254D+00
      2  -0.258256D+01 -0.100150D+01 -0.176893D+01 -0.181995D+01 -0.102066D+01
      3   0.895795D+00 -0.186586D+01 -0.181995D+01 -0.208969D+01 -0.830058D+00
               221           222           223           224           225 
      1  -0.102066D+01 -0.830058D+00 -0.271552D+01 -0.138153D+01 -0.228184D+01
      2  -0.395256D+01 -0.236592D+01 -0.138153D+01 -0.308708D+01 -0.444077D+01
      3  -0.236592D+01 -0.230066D+01 -0.228184D+01 -0.444077D+01 -0.667098D+01
               226           227           228           229           230 
      1  -0.506210D+01  0.354495D+01  0.183133D+01  0.320359D+01 -0.247430D+01
      2   0.354495D+01 -0.256099D+01 -0.158741D+01 -0.247430D+01  0.489338D+01
      3   0.183133D+01 -0.158741D+01 -0.123666D+01 -0.114668D+01  0.178065D+01
               231           232           233           234 
      1  -0.114668D+01  0.224278D+01 -0.178365D+01 -0.166456D+01
      2   0.178065D+01 -0.178365D+01  0.232871D+01  0.788843D+00
      3   0.117519D+01 -0.166456D+01  0.788843D+00  0.108181D+01
 Property number 2 -- FD Optical Rotation Tensor derivatives, frequency  1    0.085645:
                 1             2             3             4             5 
      1  -0.113362D+01  0.662538D+00 -0.149434D+01  0.116864D+01  0.112530D+02
      2  -0.349538D+01 -0.481054D+00 -0.411397D+01 -0.100565D+01 -0.441523D+01
      3   0.129387D+01 -0.303031D+01  0.249951D+01  0.756437D+01  0.917152D+01
                 6             7             8             9            10 
      1  -0.107326D+01  0.129521D+01  0.174087D+01  0.266090D+00 -0.112289D+01
      2  -0.368602D-01 -0.142900D+02 -0.349448D+01 -0.622720D+01 -0.163732D+01
      3   0.353230D+01  0.790773D+01 -0.263255D+00  0.423637D+01 -0.215905D+01
                11            12            13            14            15 
      1  -0.423238D+01 -0.340843D+00 -0.219243D+01 -0.104018D+02 -0.477719D+01
      2   0.469946D+01 -0.151685D+01  0.305109D+01  0.499448D+00  0.210056D+01
      3  -0.448618D+01 -0.412865D+01  0.946781D+01 -0.135944D+02  0.243842D+01
                16            17            18            19            20 
      1  -0.450586D+01  0.116569D+01 -0.240578D+01  0.139990D+01  0.423714D+01
      2  -0.654108D+01  0.711624D+01 -0.796326D+00 -0.284127D+01 -0.876471D+00
      3  -0.842043D+01  0.421424D+01 -0.543804D+01 -0.127649D+01 -0.419342D+01
                21            22            23            24            25 
      1   0.215929D+01  0.218361D+01 -0.109539D+02  0.489159D+01  0.463701D+01
      2   0.189411D+00 -0.178470D+01 -0.684865D+00 -0.372997D+01 -0.622681D+01
      3   0.478545D+00  0.467517D+01  0.151224D+02 -0.108619D+01  0.197015D+01
                26            27            28            29            30 
      1   0.189002D+02  0.418544D+01 -0.656517D-01 -0.696362D+00  0.121139D+00
      2  -0.533511D+01 -0.200277D+01 -0.119236D+01  0.607025D+01  0.338153D+01
      3  -0.368687D+01  0.317187D+01 -0.121342D+02 -0.208936D+02 -0.500462D+01
                31            32            33            34            35 
      1  -0.245995D+00 -0.362865D+01 -0.415969D+00  0.130728D+01  0.112879D+02
      2   0.794936D+01  0.368997D+01  0.104608D+02 -0.364457D+01  0.712458D+01
      3  -0.162827D+02 -0.455765D+02 -0.259776D+01 -0.787114D+01 -0.471320D+01
                36            37            38            39            40 
      1   0.232485D+01  0.208290D+01  0.504441D+01  0.437734D+01  0.381956D+01
      2   0.553313D+01 -0.515484D+01 -0.119918D+02 -0.558660D+01 -0.827845D+01
      3  -0.794441D+01 -0.252040D+01  0.130918D+02  0.940742D+01  0.283033D+02
                41            42            43            44            45 
      1  -0.321724D+01  0.203489D+01  0.978163D+01  0.996240D+01  0.256105D+01
      2   0.105415D+02 -0.100961D+02 -0.218855D+02 -0.208511D+02 -0.601143D+01
      3   0.164202D+02 -0.141340D+02  0.658463D+01 -0.167945D+02  0.127077D+02
                46            47            48            49            50 
      1  -0.489910D+00 -0.232673D+01 -0.157947D+01 -0.112507D+01  0.534339D+01
      2  -0.228379D+01 -0.441473D+01 -0.311247D+01 -0.317350D+01 -0.115129D+01
      3   0.502868D+01  0.872351D+01  0.454282D+01  0.209098D+02  0.488740D+02
                51            52            53            54            55 
      1  -0.343192D+01  0.670458D-01  0.121154D+01 -0.106233D+01  0.185466D+01
      2  -0.838798D+01 -0.139410D+02 -0.109383D+02 -0.447874D+01 -0.256582D+01
      3   0.293983D+01  0.684760D+01  0.337866D+01  0.100382D+02 -0.451334D+01
                56            57            58            59            60 
      1   0.671400D+01  0.237499D+01  0.352860D+01 -0.527477D+01  0.667316D+01
      2   0.533339D+00  0.952477D+00  0.673784D+00  0.815359D+00  0.166171D+00
      3  -0.102582D+02 -0.329696D+01 -0.332102D+01 -0.143776D+02 -0.282883D+01
                61            62            63            64            65 
      1   0.658189D+01  0.239411D+02  0.678198D+01  0.240196D+01  0.339849D+01
      2  -0.336751D+01 -0.259611D+01  0.699043D+00  0.149772D+02 -0.321839D+01
      3  -0.608759D+01 -0.607067D+01 -0.541661D+01 -0.614198D+00 -0.985329D+01
                66            67            68            69            70 
      1   0.216597D+01 -0.415596D+01  0.795976D+00 -0.490279D+01  0.683218D+00
      2   0.153231D+02 -0.571575D-01  0.738656D+01  0.134679D+01  0.447285D+01
      3   0.628132D+00 -0.874486D+01  0.897382D+01 -0.584044D+01 -0.832588D+00
                71            72            73            74            75 
      1   0.685888D+01 -0.234389D+00  0.545852D+00 -0.739502D+00  0.132256D+01
      2   0.111458D+01 -0.252880D+01  0.272123D+01 -0.102724D+01  0.151989D+01
      3  -0.629764D+01 -0.234741D+01 -0.389633D+00 -0.139991D+01  0.249380D+00
                76            77            78            79            80 
      1  -0.780506D-01  0.120224D+01 -0.835217D+00  0.701789D+00  0.359109D+01
      2  -0.194766D+01 -0.123134D+01 -0.205242D+01 -0.417666D+01 -0.596721D+00
      3   0.316917D+01  0.548582D+00  0.136244D+01  0.214290D+01  0.231231D+01
                81            82            83            84            85 
      1  -0.154977D+01  0.108189D+01 -0.246954D+00 -0.201218D+01  0.393243D+00
      2  -0.161350D+01  0.226046D+01 -0.754801D+00  0.298331D+01 -0.155824D-01
      3   0.637587D+00  0.348583D+01 -0.218548D+01 -0.645456D-01  0.335850D+01
                86            87            88            89            90 
      1  -0.157054D+01 -0.178317D+01 -0.151671D+01  0.166244D+01  0.291171D+01
      2  -0.112111D+01  0.117952D+01 -0.240478D+01 -0.438921D-01 -0.206715D+01
      3  -0.263468D+01  0.853531D+00 -0.191299D+01  0.170612D+01  0.102025D+01
                91            92            93            94            95 
      1  -0.365198D+01 -0.158895D+01 -0.287551D+01 -0.239690D+01 -0.123894D+01
      2   0.813630D+01  0.482654D+01  0.850092D+01  0.460749D+01  0.451536D+01
      3  -0.282125D+01 -0.580538D+01 -0.272641D+01 -0.687728D+01 -0.925851D+01
                96            97            98            99           100 
      1  -0.326455D+01 -0.558952D+01 -0.289943D+01 -0.596938D+01  0.231784D+01
      2   0.713247D+01  0.113052D+02  0.108364D+02  0.175761D+02 -0.417069D+01
      3  -0.286773D+01 -0.406053D+01 -0.632248D+01 -0.706289D+01  0.116456D+02
               101           102           103           104           105 
      1  -0.179605D+01 -0.987834D+00 -0.175043D+01  0.239823D+01 -0.270051D+00
      2   0.219942D+01  0.641635D+01  0.371265D+01 -0.323156D+01 -0.468159D+01
      3  -0.857283D+01 -0.424349D+01 -0.865521D+01  0.104591D+02  0.470858D+01
               106           107           108           109           110 
      1  -0.195821D+01  0.163434D+01  0.756168D+00 -0.349858D+00 -0.100314D+01
      2   0.485484D+01 -0.137161D+01 -0.495355D+01 -0.160179D+01  0.188446D+01
      3  -0.498979D+01  0.534817D+01  0.277980D+01 -0.291050D+01 -0.539571D+00
               111           112           113           114           115 
      1  -0.266486D+00  0.127493D+01  0.122475D+01 -0.419059D+01 -0.280388D+01
      2   0.116933D+01 -0.178077D+01 -0.112560D+02  0.961793D+01  0.428582D+01
      3  -0.129504D+01 -0.690143D+01 -0.235796D+02  0.112768D+02  0.211912D+01
               116           117           118           119           120 
      1  -0.190927D+01  0.335125D+01 -0.450426D+01 -0.356951D+01 -0.401665D+01
      2   0.117859D+02 -0.104136D+02 -0.123188D+01 -0.104274D+01  0.915038D+00
      3   0.146107D+02 -0.108079D+02  0.616794D+01  0.217060D+01  0.375458D+01
               121           122           123           124           125 
      1  -0.125184D+01 -0.538717D+01 -0.654194D+01 -0.398406D+01 -0.101245D+02
      2  -0.475435D+00 -0.935728D+00  0.176395D+00 -0.186157D+01 -0.397879D+00
      3   0.653893D+01  0.701385D+01  0.234908D+01  0.103821D+02  0.535145D+01
               126           127           128           129           130 
      1  -0.132943D+02  0.150130D+01 -0.209140D+01  0.138280D+00  0.575365D+00
      2  -0.878629D+00  0.857152D+00  0.100804D+01  0.107938D+01  0.260194D-01
      3   0.449997D+01 -0.863401D+00  0.949841D+00 -0.132414D+01  0.835592D+01
               131           132           133           134           135 
      1   0.727718D+01 -0.712709D+01 -0.265141D+01 -0.777724D+01  0.619133D+01
      2  -0.104561D+01 -0.511494D-01 -0.172444D+01  0.334000D+00 -0.185038D-01
      3   0.572432D+01 -0.458006D+00 -0.461976D+01 -0.352765D+00  0.233233D+01
               136           137           138           139           140 
      1  -0.754494D+01 -0.460965D+01 -0.334927D+01 -0.758683D+01  0.837878D+01
      2  -0.194424D+02  0.319536D+01  0.485528D+01  0.412078D+01 -0.304594D+01
      3   0.853174D-01  0.187436D+01  0.289009D+01  0.905481D+01 -0.680561D+01
               141           142           143           144           145 
      1  -0.155025D+02 -0.284043D+01 -0.776160D+01 -0.379195D+01 -0.168611D+01
      2  -0.685412D+00  0.870175D+00 -0.103378D+01  0.592627D+01 -0.108263D+02
      3   0.869516D+01  0.254361D+01  0.585047D+01  0.389529D+01  0.779717D+01
               146           147           148           149           150 
      1  -0.413282D+00 -0.203338D+01  0.148595D+00 -0.216237D+01 -0.214838D+01
      2  -0.189011D+01 -0.103224D+02 -0.261852D+01 -0.103949D+02 -0.639163D+01
      3   0.137173D+02  0.325025D+01  0.277808D+02 -0.176186D+02  0.952206D+01
               151           152           153           154           155 
      1  -0.306312D+01  0.138214D+01  0.337831D+01  0.471096D+01 -0.282990D+01
      2  -0.202051D+02 -0.525496D+01  0.183072D+02  0.240767D+02 -0.335858D+01
      3   0.397205D+01  0.986802D+01  0.798587D+01  0.315146D+01 -0.129709D+01
               156           157           158           159           160 
      1   0.594114D-01 -0.214812D+01  0.475125D+00  0.132574D+00 -0.622280D+00
      2  -0.932705D+00 -0.449412D+01  0.138514D+01 -0.219798D+00 -0.461203D+01
      3  -0.357409D+00  0.187406D+01  0.375212D-01 -0.480338D+00 -0.240323D+00
               161           162           163           164           165 
      1   0.145123D+01  0.664771D+00  0.400805D+01  0.492376D+01  0.317668D+01
      2   0.263710D+00  0.224218D+01 -0.113866D+01 -0.903595D+00  0.277262D+01
      3   0.470361D+00  0.169691D+00 -0.220173D+01 -0.392422D+01 -0.254778D+01
               166           167           168           169           170 
      1   0.401741D+01  0.564272D+01  0.526946D+01  0.321995D+01  0.629792D+01
      2  -0.287452D+01  0.102756D+01  0.312941D+01 -0.291331D+01  0.664067D+00
      3  -0.141595D+01 -0.353007D+01 -0.421548D+01 -0.144606D+01 -0.348303D+01
               171           172           173           174           175 
      1   0.605421D+01 -0.946200D+00  0.282290D+01  0.565796D+00  0.346236D+01
      2   0.341142D+01  0.760541D+00  0.448549D+00  0.103161D+01  0.292963D+01
      3  -0.367785D+01  0.924641D+00 -0.251471D+01  0.529724D+00  0.112922D+01
               176           177           178           179           180 
      1  -0.136143D+02  0.299231D+01 -0.451240D+00  0.481380D+01 -0.188815D+01
      2   0.323485D+01 -0.443133D+01 -0.152064D+01 -0.140155D+01  0.191979D+01
      3   0.102197D+02 -0.566422D+01 -0.650657D+00 -0.281345D+01  0.212227D+01
               181           182           183           184           185 
      1  -0.907546D+00 -0.589471D+00  0.831991D+00 -0.138731D+00 -0.442576D+00
      2  -0.452962D+01  0.143803D+00  0.637727D+01  0.612906D-01 -0.122722D+01
      3  -0.175341D+01 -0.238122D+01  0.848551D+00 -0.232278D+01 -0.218128D-01
               186           187           188           189           190 
      1  -0.248950D+00  0.145310D+01  0.327514D+01 -0.368079D+01  0.468458D+00
      2   0.324580D+01  0.637405D+01  0.216364D+01 -0.244308D+02  0.226575D+01
      3   0.196312D+01  0.985615D+00  0.402090D+01 -0.336112D+01  0.484135D+01
               191           192           193           194           195 
      1  -0.296735D+00  0.969737D+00 -0.266427D+00  0.123410D+01 -0.382518D+01
      2  -0.126194D+01  0.312316D+01 -0.180001D+01  0.531986D+01 -0.546756D+01
      3  -0.738853D+01  0.685213D+00 -0.109868D+02  0.265352D+02 -0.462320D+01
               196           197           198           199           200 
      1   0.657059D+00  0.196190D+00  0.715586D+00  0.132549D+01  0.921177D+00
      2   0.295398D+01 -0.296471D+01  0.147249D+01  0.802852D+01  0.330532D+01
      3   0.967736D+00 -0.533791D+01  0.251208D+01 -0.103765D+02 -0.890878D+01
               201           202           203           204           205 
      1   0.130817D+00  0.938481D+00  0.118960D+01 -0.803700D+00  0.127863D+01
      2   0.833593D+01  0.501810D+01  0.533814D+01  0.731882D+01  0.742848D+01
      3  -0.423474D+01 -0.105516D+02 -0.891877D+01 -0.583402D+01 -0.566081D+01
               206           207           208           209           210 
      1   0.174617D+01  0.144070D+00  0.246455D+01 -0.105099D+01  0.264294D+00
      2   0.424468D+01  0.756753D+01 -0.748526D+00  0.554301D+00  0.163154D+01
      3  -0.740013D+01 -0.540603D+01 -0.187840D+01  0.155974D+00 -0.150274D+01
               211           212           213           214           215 
      1   0.812125D+00  0.112683D+02 -0.651987D+01 -0.117795D+01 -0.809372D+01
      2  -0.152239D+01 -0.278321D+01  0.162366D+01  0.894863D+00  0.325108D+01
      3   0.596630D+01 -0.118218D+02  0.128921D+01 -0.494144D+01  0.600329D+01
               216           217           218           219           220 
      1   0.522279D+01 -0.228674D+01 -0.196844D+01 -0.295227D+01 -0.301204D+00
      2  -0.199738D+01 -0.187267D+00  0.106426D+01  0.196600D+01 -0.576303D+00
      3  -0.240273D+01  0.285165D+01 -0.299549D+01 -0.840581D-01  0.227799D+01
               221           222           223           224           225 
      1   0.408116D+00 -0.303303D+01 -0.148667D+01 -0.347937D+01 -0.824397D+01
      2   0.176184D+01  0.192604D+01 -0.357079D+01  0.362457D+01  0.538562D+01
      3  -0.427376D+01 -0.122587D+01  0.390680D+01 -0.200811D+01 -0.232705D+01
               226           227           228           229           230 
      1  -0.147411D+01  0.132503D+01  0.324994D+01  0.112944D+01 -0.144877D+01
      2  -0.850300D+00  0.253782D+01  0.443333D+01  0.254584D+00 -0.299165D+01
      3  -0.309499D+01 -0.136001D+01 -0.199477D+00  0.298138D+01  0.514950D+01
               231           232           233           234 
      1  -0.267104D+01  0.322159D+01  0.223102D+01 -0.214294D+01
      2  -0.319258D+01  0.209777D+01  0.151889D+01 -0.181048D+01
      3   0.111375D+01  0.140402D+01  0.240927D+01 -0.191725D+01
 Property number 4 -- D-Q polarizability derivatives, frequency  1    0.085645:
                 1             2             3             4             5 
      1  -0.131516D+02 -0.540070D+01 -0.946125D+01 -0.768414D+01 -0.242672D+01
      2   0.967521D+01  0.195862D+01  0.135619D+01  0.218089D+01  0.782173D+01
      3   0.347640D+01  0.344208D+01  0.810506D+01  0.550325D+01 -0.539501D+01
      4   0.944056D+00 -0.690235D+00 -0.329150D+01 -0.199640D+01 -0.319912D+01
      5  -0.517338D+00 -0.549462D+01 -0.107771D+02  0.100174D+01  0.413040D+00
      6  -0.294684D+01  0.296217D+00  0.433577D+01  0.298558D+01  0.295836D+01
                 6             7             8             9            10 
      1   0.684593D+01 -0.223445D+02 -0.198879D+01 -0.259525D+01 -0.607772D+01
      2  -0.216842D+01  0.779816D+01  0.344541D+01  0.660186D+01  0.612518D+01
      3  -0.467751D+01  0.145463D+02 -0.145661D+01 -0.400661D+01 -0.474592D-01
      4   0.973829D-01 -0.770206D+01  0.717743D+01  0.813684D+01 -0.823705D+00
      5   0.537704D+01 -0.875785D+01  0.688291D+01  0.867697D+01  0.466524D+01
      6  -0.473411D+01  0.805139D+01 -0.369986D+01 -0.751242D+01  0.579819D+01
                11            12            13            14            15 
      1   0.672650D+01 -0.368150D+01  0.888040D+01 -0.111768D+02 -0.627261D+00
      2   0.231218D+00  0.275783D+01 -0.277529D+01  0.121605D+02  0.271777D+01
      3  -0.695772D+01  0.923671D+00 -0.610511D+01 -0.983681D+00 -0.209051D+01
      4  -0.625077D+01  0.108666D+02 -0.126270D+02  0.799099D+01  0.671509D+01
      5   0.898531D+01 -0.907750D+01  0.274590D+01  0.358995D+01 -0.346147D+01
      6   0.139590D+01 -0.584211D+01  0.638737D+01  0.325592D+01 -0.157535D+01
                16            17            18            19            20 
      1  -0.566992D+01  0.129547D+02 -0.636053D+01  0.720449D+00  0.874847D+01
      2   0.277488D+01 -0.686026D+01  0.692729D+01  0.180792D+01 -0.201160D+01
      3   0.289504D+01 -0.609439D+01 -0.566756D+00 -0.252837D+01 -0.673687D+01
      4   0.188233D+02  0.418718D+01 -0.278930D+01  0.387686D+01  0.128527D+00
      5  -0.839282D+01 -0.387183D+01  0.494377D+01 -0.380896D+01 -0.345919D+01
      6  -0.657654D+01 -0.942842D+00  0.438552D+01 -0.711971D+00 -0.520759D+01
                21            22            23            24            25 
      1   0.563199D+01  0.153529D+02  0.224232D+02 -0.446025D+01  0.774826D+01
      2  -0.127647D+01 -0.868057D+01 -0.275621D+02  0.114200D+02 -0.316821D+00
      3  -0.435552D+01 -0.667228D+01  0.513884D+01 -0.695973D+01 -0.743144D+01
      4  -0.577895D+01 -0.113128D+01 -0.186674D+02 -0.566533D+01 -0.601445D+01
      5  -0.825369D+01 -0.553263D+01 -0.536336D+01 -0.985939D+01 -0.998893D+01
      6  -0.701831D+01 -0.398685D+01  0.163734D+01 -0.104396D+02 -0.103089D+02
                26            27            28            29            30 
      1  -0.377841D+01  0.926998D+01  0.192267D+02  0.122068D+02  0.212767D+01
      2   0.219594D+02 -0.140846D+01 -0.143692D+02 -0.661021D+01 -0.245155D+01
      3  -0.181810D+02 -0.786153D+01 -0.485740D+01 -0.559655D+01  0.323878D+00
      4  -0.711732D+01 -0.170448D+02  0.363660D+01  0.216567D+02  0.660170D+01
      5  -0.158706D+02 -0.149612D+02  0.489227D+01  0.486503D+01  0.674645D+01
      6  -0.226980D+02 -0.174876D+02  0.141957D+01 -0.757264D+00 -0.212698D+01
                31            32            33            34            35 
      1   0.145262D+02  0.302894D+02  0.929358D+01  0.865417D+01  0.839510D+01
      2  -0.104071D+02 -0.211390D+02 -0.352723D+01 -0.786852D+01 -0.649951D+01
      3  -0.411911D+01 -0.915044D+01 -0.576635D+01 -0.785647D+00 -0.189559D+01
      4   0.253387D+02  0.550288D+02  0.130182D+01  0.691831D+01  0.418327D+01
      5   0.752252D+01 -0.405838D+00  0.131043D+02  0.167454D+02  0.101183D+02
      6  -0.147263D+01  0.466062D+01  0.302006D+01 -0.109982D+00  0.955492D+01
                36            37            38            39            40 
      1   0.741608D+01 -0.213543D+02  0.249161D+01 -0.377138D+01  0.112560D+02
      2  -0.126988D+02  0.161876D+02 -0.275070D+01  0.495416D+00 -0.782218D+01
      3   0.528270D+01  0.516665D+01  0.259093D+00  0.327597D+01 -0.343385D+01
      4   0.743845D+01  0.418736D+01 -0.235934D+02 -0.200481D+02 -0.379644D+02
      5   0.897844D+01 -0.690439D+01 -0.213928D+02 -0.169506D+02 -0.191060D+02
      6  -0.109893D+01 -0.866988D+01 -0.475529D+01 -0.485455D+01  0.261125D+01
                41            42            43            44            45 
      1  -0.253854D+02 -0.244343D+02 -0.114966D+02 -0.300434D+02 -0.196712D+02
      2   0.115927D+02  0.166440D+02  0.567563D+01  0.215726D+02  0.821162D+01
      3   0.137927D+02  0.779030D+01  0.582098D+01  0.847077D+01  0.114596D+02
      4  -0.285823D+02  0.160912D+02 -0.224147D+02  0.148748D+02 -0.279675D+02
      5   0.204553D+02 -0.193278D+02 -0.362956D+02 -0.327337D+02 -0.106079D+02
      6   0.120076D+02 -0.142978D+02 -0.127442D+02 -0.214060D+02 -0.944928D+00
                46            47            48            49            50 
      1  -0.213914D+02 -0.121914D+02 -0.101921D+01 -0.285054D+02 -0.427445D+02
      2   0.130017D+02  0.137201D+02  0.236694D+01  0.255799D+02  0.389738D+02
      3   0.838977D+01 -0.152865D+01 -0.134773D+01  0.292550D+01  0.377072D+01
      4   0.761481D+01 -0.167029D+02 -0.132453D+02 -0.254162D+02 -0.373322D+02
      5   0.103976D+02 -0.105363D+02 -0.353391D+01 -0.988115D+01  0.780490D+01
      6  -0.765303D+01  0.818161D+01  0.300470D+01  0.883433D+01 -0.120173D+02
                51            52            53            54            55 
      1  -0.447045D+01 -0.353168D+01 -0.890447D+01 -0.160432D+02  0.587123D+01
      2   0.363244D+00  0.344607D+01 -0.395043D+01  0.255282D+01 -0.529655D+01
      3   0.410721D+01  0.856129D-01  0.128549D+02  0.134904D+02 -0.574684D+00
      4   0.100723D+02 -0.198974D+02  0.135487D+02 -0.907265D+01  0.280720D+00
      5  -0.107211D+02 -0.106782D+01 -0.886878D+01 -0.144962D+01 -0.420949D+01
      6   0.298092D+01  0.526240D+01  0.163518D+02  0.747994D+00 -0.230826D+01
                56            57            58            59            60 
      1   0.104273D+02  0.765100D+01  0.123764D+02  0.448622D+02 -0.447154D+01
      2  -0.120570D+02 -0.104508D+02 -0.129993D+02 -0.482053D+02  0.967987D+01
      3   0.162968D+01  0.279982D+01  0.622891D+00  0.334318D+01 -0.520833D+01
      4   0.962789D+00  0.146289D+00  0.777606D+01  0.352254D+01 -0.113228D+02
      5  -0.572039D+00 -0.409379D+01  0.258416D+00 -0.713692D+01  0.646961D+00
      6  -0.109190D+02 -0.338325D+01 -0.620302D+01  0.128926D+02 -0.182789D+02
                61            62            63            64            65 
      1   0.870603D+01 -0.750932D+01  0.244468D+02 -0.202345D+01  0.460040D+01
      2  -0.787114D+01  0.146855D+02 -0.279827D+02 -0.456413D+01 -0.452025D+01
      3  -0.834892D+00 -0.717618D+01  0.353598D+01  0.658758D+01 -0.801477D-01
      4  -0.191015D+01 -0.135185D+02 -0.368467D+01  0.419565D+01  0.582815D+01
      5  -0.201008D+01 -0.448613D+01 -0.387724D+01  0.140761D+02 -0.746991D+00
      6  -0.109319D+02 -0.401313D+02 -0.740911D+01 -0.173691D+01  0.470021D+01
                66            67            68            69            70 
      1   0.125787D+02  0.716618D+01  0.145591D+02  0.106381D+01  0.224297D+02
      2  -0.964266D+01 -0.527291D+01 -0.850571D+01 -0.262983D+01 -0.149576D+02
      3  -0.293609D+01 -0.189327D+01 -0.605335D+01  0.156602D+01 -0.747209D+01
      4  -0.325844D+01  0.204582D+02 -0.161180D+02  0.834740D+01 -0.477062D+01
      5   0.149879D+02 -0.867623D-01  0.898513D+01  0.255025D+01  0.207986D+02
      6  -0.428022D+00  0.126930D+01 -0.599235D+01  0.384661D+01 -0.267716D+01
                71            72            73            74            75 
      1  -0.174502D+01  0.149605D+02  0.181318D+01  0.626754D+00  0.327577D+01
      2  -0.104242D+01 -0.118259D+02 -0.459069D+01  0.940316D+00  0.382213D+01
      3   0.278744D+01 -0.313455D+01  0.277751D+01 -0.156707D+01 -0.709789D+01
      4   0.674732D+01 -0.715510D+00 -0.716030D+01  0.713071D+01  0.553070D+01
      5   0.110092D+01 -0.224972D+01 -0.860894D+01  0.565305D+01  0.135247D+02
      6   0.504865D+01  0.136237D+01  0.542294D+01 -0.428218D+01 -0.634998D+01
                76            77            78            79            80 
      1   0.128200D+01 -0.937368D+01 -0.924357D+01  0.345682D+01 -0.828350D+01
      2   0.715700D+00  0.364857D+01  0.834844D+00  0.380217D+01 -0.175686D+01
      3  -0.199770D+01  0.572511D+01  0.840873D+01 -0.725898D+01  0.100404D+02
      4   0.410775D+01 -0.474902D+01 -0.592312D+01  0.523572D+01 -0.635297D+01
      5   0.434195D+01 -0.604392D+01 -0.736469D+01  0.974721D+01 -0.801973D+01
      6  -0.345844D+01  0.999490D+01  0.130091D+02 -0.540624D+01  0.128261D+02
                81            82            83            84            85 
      1  -0.192199D+02  0.906148D+01  0.598762D+00 -0.300884D+00 -0.183611D+01
      2  -0.996078D+01 -0.654602D+01  0.630046D+00  0.227741D+01  0.158355D+01
      3   0.291807D+02 -0.251547D+01 -0.122881D+01 -0.197652D+01  0.252563D+00
      4  -0.932870D+01  0.148732D+02  0.136731D+02 -0.103627D+02  0.101725D+02
      5  -0.171689D+02 -0.129725D+02 -0.909668D+01  0.138100D+02 -0.695418D+01
      6   0.190091D+02 -0.877647D+01 -0.791505D+01  0.836276D+01 -0.708479D+01
                86            87            88            89            90 
      1  -0.675853D+01  0.349483D+01 -0.902400D+00  0.290101D+01 -0.577388D+01
      2   0.802740D+01 -0.208660D+01  0.342990D+01 -0.118303D+00 -0.383239D+01
      3  -0.126887D+01 -0.140823D+01 -0.252750D+01 -0.278270D+01  0.960627D+01
      4   0.139578D+02 -0.964531D+01 -0.976479D+01 -0.102518D+02  0.113726D+02
      5  -0.880780D+01  0.681192D+01  0.116893D+02  0.968091D+01 -0.138177D+02
      6  -0.125182D+02  0.113569D+02  0.926143D+01  0.128657D+02 -0.145876D+02
                91            92            93            94            95 
      1   0.363902D+02  0.131859D+02  0.160313D+02  0.152868D+02  0.126187D+02
      2  -0.198363D+02 -0.528246D+01 -0.814714D+01 -0.561004D+01 -0.302365D+01
      3  -0.165539D+02 -0.790340D+01 -0.788418D+01 -0.967675D+01 -0.959501D+01
      4   0.172289D+02  0.139366D+02  0.108763D+02  0.229820D+02  0.221826D+02
      5   0.203829D+02  0.109109D+02  0.180894D+02  0.106635D+02  0.943565D+01
      6   0.651544D+01  0.341769D+01  0.455239D+01  0.471863D+01  0.443549D+01
                96            97            98            99           100 
      1   0.697482D+01  0.357134D+02  0.159713D+02  0.166358D+02  0.512064D+02
      2  -0.199049D+01 -0.205425D+02 -0.799657D+01 -0.126746D+02 -0.296312D+02
      3  -0.498433D+01 -0.151708D+02 -0.797473D+01 -0.396118D+01 -0.215752D+02
      4   0.970051D+01  0.231682D+02  0.180880D+02  0.197329D+02 -0.151864D+02
      5   0.134307D+02  0.319977D+02  0.224330D+02  0.353520D+02 -0.161946D+02
      6   0.808191D+01  0.105372D+02  0.117586D+02  0.112960D+02  0.133308D+01
               101           102           103           104           105 
      1  -0.162909D+02 -0.121582D+02 -0.362533D+02  0.137982D+02  0.950900D+01
      2   0.103235D+02  0.875159D+01  0.207357D+02 -0.722888D+01 -0.737303D+01
      3   0.596737D+01  0.340665D+01  0.155176D+02 -0.656928D+01 -0.213597D+01
      4   0.124440D+02  0.538825D+01  0.189196D+02 -0.170340D+02 -0.748713D+01
      5   0.652116D+01  0.139533D+02  0.132530D+02 -0.801738D+01 -0.973100D+01
      6  -0.467734D+00  0.399935D+00 -0.192244D+01  0.188439D+01  0.291571D+01
               106           107           108           109           110 
      1  -0.179879D+02  0.672878D+01  0.111129D+02  0.462415D+01  0.712965D+01
      2   0.130167D+02 -0.578232D+01 -0.962467D+01 -0.255509D+01 -0.436892D+01
      3   0.497120D+01 -0.946460D+00 -0.148826D+01 -0.206906D+01 -0.276073D+01
      4   0.647916D+01 -0.689266D+01 -0.381284D+01  0.512863D+01  0.493954D+01
      5   0.185505D+02 -0.427282D+01 -0.122263D+02 -0.303206D+01 -0.265979D+00
      6  -0.884425D+00  0.371310D+01  0.115964D+01 -0.194710D+01  0.139585D+01
               111           112           113           114           115 
      1  -0.423839D+01  0.136270D+02 -0.143686D+01  0.537017D+01 -0.784036D+01
      2   0.198916D+01 -0.442401D+01  0.123686D+02 -0.563296D+01  0.447059D+01
      3   0.224923D+01 -0.920303D+01 -0.109317D+02  0.262797D+00  0.336977D+01
      4  -0.639246D+00  0.227001D+02  0.419416D+02 -0.194365D+02 -0.906308D+01
      5   0.480553D+01 -0.830327D+01 -0.221041D+02  0.184974D+02  0.172090D+02
      6   0.471253D+00 -0.734769D+01 -0.194424D+02  0.140628D+02  0.815057D+01
               116           117           118           119           120 
      1   0.682493D+01 -0.982157D+00 -0.285244D+01 -0.666952D+01 -0.481802D+01
      2  -0.630614D+01 -0.207429D+01  0.303445D+01  0.864522D+01  0.489009D+01
      3  -0.518791D+00  0.305644D+01 -0.182007D+00 -0.197570D+01 -0.720704D-01
      4  -0.232239D+02  0.200659D+02  0.608562D+01  0.900338D+01  0.525845D+01
      5   0.236079D+02 -0.200286D+02  0.250278D+01  0.368712D+01  0.527914D+01
      6   0.179007D+02 -0.137523D+02  0.742052D+01  0.784296D+01  0.596690D+01
               121           122           123           124           125 
      1  -0.615811D+01 -0.255141D+02 -0.936860D+01 -0.777045D+01 -0.205967D+02
      2   0.792682D+01  0.308328D+02  0.105648D+02  0.645516D+01  0.202960D+02
      3  -0.176871D+01 -0.531864D+01 -0.119622D+01  0.131529D+01  0.300786D+00
      4   0.382149D+01  0.413745D+01  0.373613D+01  0.595403D+01  0.611432D+01
      5   0.169260D+01  0.293809D+01  0.124674D+01  0.540860D+01  0.440888D+01
      6   0.457925D+01  0.153866D+02  0.152313D+02  0.850597D+01  0.290726D+02
               126           127           128           129           130 
      1  -0.202609D+02 -0.110571D+01  0.298384D+01 -0.212176D+01 -0.422846D+01
      2   0.151150D+02  0.440027D+01 -0.592631D+01  0.253335D+01  0.226280D+01
      3   0.514592D+01 -0.329456D+01  0.294247D+01 -0.411589D+00  0.196566D+01
      4   0.473730D+01 -0.375113D+01  0.113387D+02 -0.374019D+01  0.541926D+01
      5   0.314155D+01  0.249874D+01 -0.235381D+01  0.408628D+01 -0.191111D+01
      6   0.245066D+02 -0.439214D+01  0.508882D+01 -0.660020D+00  0.199635D+00
               131           132           133           134           135 
      1  -0.455010D+02  0.146964D+02  0.515098D+00  0.244850D+02 -0.178328D+02
      2   0.629942D+02 -0.190658D+02  0.696020D+00 -0.292813D+02  0.167115D+02
      3  -0.174933D+02  0.436941D+01 -0.121112D+01  0.479630D+01  0.112125D+01
      4  -0.999968D+01  0.442970D+01 -0.353668D+01  0.566576D+01 -0.323773D+01
      5   0.316594D+01 -0.141943D+01  0.331748D+01 -0.164534D+01  0.231302D+01
      6  -0.291441D+02  0.169744D+02  0.248227D+01  0.291320D+02 -0.169177D+02
               136           137           138           139           140 
      1   0.162633D+02 -0.480917D+01 -0.707372D+00 -0.783190D+01  0.722599D+01
      2  -0.957722D+00  0.707000D+01  0.899966D+01  0.116959D+02 -0.233924D+01
      3  -0.153056D+02 -0.226083D+01 -0.829229D+01 -0.386399D+01 -0.488674D+01
      4  -0.890255D+01 -0.358468D+01 -0.202697D+01 -0.100080D+02  0.159359D+02
      5   0.827100D-01 -0.680732D+01 -0.153293D+02 -0.833276D+01 -0.209997D+02
      6  -0.518378D+01 -0.922228D+01 -0.326650D+01 -0.140480D+02  0.207333D+02
               141           142           143           144           145 
      1  -0.474600D+01 -0.397467D+00 -0.246554D+01 -0.103340D+02  0.468565D+01
      2   0.153021D+02  0.811181D+01  0.116696D+02  0.408724D+01 -0.175738D+01
      3  -0.105561D+02 -0.771434D+01 -0.920403D+01  0.624677D+01 -0.292827D+01
      4  -0.173677D+02 -0.722891D+00 -0.108047D+02 -0.394133D+01 -0.169723D+02
      5  -0.949539D+01 -0.218752D+02 -0.646856D+01 -0.108436D+02 -0.211393D+02
      6  -0.197469D+02 -0.236215D+01 -0.163311D+02 -0.850873D+01  0.674859D+00
               146           147           148           149           150 
      1  -0.181053D+02 -0.182796D+02 -0.237842D+02 -0.231625D+02 -0.815699D+01
      2   0.148310D+02  0.744097D+01  0.218266D+02  0.389199D+00  0.705773D+01
      3   0.327429D+01  0.108387D+02  0.195759D+01  0.227733D+02  0.109926D+01
      4  -0.246422D+02 -0.352046D+01 -0.418611D+02  0.367791D+02 -0.172463D+02
      5  -0.385027D+01 -0.196306D+02 -0.608010D+01 -0.155663D+02 -0.119733D+02
      6  -0.197264D+01  0.712810D+00 -0.272963D+01  0.260424D+01 -0.152802D+01
               151           152           153           154           155 
      1  -0.249366D+02 -0.766519D+01 -0.208720D+02 -0.888614D+01  0.124211D-01
      2   0.804474D+01  0.645238D+01  0.175820D+02  0.247028D+01 -0.416414D+00
      3   0.168919D+02  0.121281D+01  0.328995D+01  0.641586D+01  0.403993D+00
      4  -0.489854D+01 -0.187813D+02 -0.961599D+01  0.583814D+01 -0.885049D-02
      5  -0.266976D+02 -0.103678D+02  0.315637D+02 -0.148715D+02  0.181610D+01
      6   0.840761D+00  0.123302D+01 -0.385299D+01  0.184215D+01 -0.320677D+01
               156           157           158           159           160 
      1   0.938848D+01  0.172961D+01 -0.227355D+01 -0.141887D+01  0.476913D+01
      2   0.283375D+01 -0.201222D+01  0.116654D+01 -0.215529D+01  0.230176D+01
      3  -0.122222D+02  0.282616D+00  0.110701D+01  0.357416D+01 -0.707089D+01
      4  -0.109592D+01  0.161017D+01 -0.657590D+00  0.136781D+01 -0.952686D+00
      5   0.322319D+01  0.259708D+01  0.745654D+00  0.163577D+01  0.713943D+01
      6   0.178463D+01 -0.127818D+01 -0.847825D+00  0.371147D+01  0.413691D+00
               161           162           163           164           165 
      1  -0.826504D+00 -0.371212D+01  0.728142D+01  0.302699D+01  0.144545D+01
      2  -0.105345D+01 -0.273525D+01 -0.117713D+02 -0.488708D+01 -0.127570D+02
      3   0.187996D+01  0.644737D+01  0.448987D+01  0.186009D+01  0.113115D+02
      4  -0.450479D+00  0.126187D+01  0.625604D+01  0.640294D+01  0.467716D+01
      5   0.363567D+00 -0.413519D+01  0.188718D+02  0.793647D+01  0.221793D+02
      6   0.296144D+01  0.113773D+01  0.596842D+01  0.672400D+01  0.524720D+01
               166           167           168           169           170 
      1   0.416984D+01 -0.239201D+01 -0.405401D+01  0.198229D+00 -0.226922D+01
      2  -0.716209D+01 -0.249473D+01 -0.104651D+02 -0.997729D+01 -0.634074D+01
      3   0.299225D+01  0.488674D+01  0.145191D+02  0.977906D+01  0.860995D+01
      4   0.752362D+01  0.656558D+01  0.920742D+01  0.311248D+01  0.556353D+01
      5   0.125434D+02  0.117299D+02  0.166059D+02  0.171838D+02  0.843953D+01
      6   0.803582D+01  0.842650D+01  0.137922D+02  0.458317D+01  0.946789D+01
               171           172           173           174           175 
      1  -0.799635D+01 -0.140616D+00 -0.123850D+01 -0.590502D-01 -0.374971D+00
      2  -0.181592D+02  0.112312D+00 -0.894232D+00 -0.224118D+01 -0.217937D+01
      3   0.261556D+02  0.283041D-01  0.213273D+01  0.230023D+01  0.255434D+01
      4   0.630508D+01 -0.545694D+01  0.922968D+01 -0.424885D+01  0.112735D+02
      5   0.250148D+02  0.541151D+01 -0.553135D+01  0.833005D+01 -0.730568D+01
      6   0.107449D+02 -0.486026D+01  0.617527D+01 -0.300939D+01  0.878607D+01
               176           177           178           179           180 
      1  -0.162663D+02  0.124816D+02 -0.102424D+01  0.730074D+01 -0.733094D+01
      2   0.175377D+02 -0.459633D+01 -0.170819D+01 -0.122839D+01 -0.112519D+01
      3  -0.127139D+01 -0.788526D+01  0.273243D+01 -0.607235D+01  0.845613D+01
      4  -0.224449D+02  0.121070D+02 -0.184961D+01  0.572228D+01 -0.512839D+01
      5   0.136531D+02 -0.102211D+02  0.628829D+01 -0.497257D+01  0.785150D+01
      6  -0.316502D+02  0.228432D+02 -0.285453D+01  0.144849D+02 -0.115672D+02
               181           182           183           184           185 
      1   0.110151D+02  0.266033D+01 -0.964928D+01  0.595678D+01  0.308476D+01
      2  -0.849137D+01 -0.191777D+01  0.702095D+01 -0.424878D+01 -0.109151D+01
      3  -0.252378D+01 -0.742563D+00  0.262833D+01 -0.170800D+01 -0.199326D+01
      4   0.173723D+01  0.440291D+01  0.356321D+00  0.787554D+01 -0.123129D+01
      5  -0.116556D+02 -0.475063D+00  0.159094D+02 -0.195700D+01 -0.389275D+01
      6   0.622684D+00 -0.276378D+00 -0.108034D+01 -0.142737D+01 -0.656107D+00
               186           187           188           189           190 
      1  -0.416168D+00 -0.189293D+02  0.514168D+00  0.992005D+01  0.166686D+02
      2   0.123616D+01  0.145692D+02  0.927872D+00 -0.189768D+02 -0.411751D+01
      3  -0.819987D+00  0.436003D+01 -0.144204D+01  0.905670D+01 -0.125511D+02
      4  -0.415345D+01  0.174096D+01 -0.648987D+01  0.263209D+01 -0.155476D+02
      5   0.594740D+01  0.265716D+02  0.338037D+01 -0.481585D+02  0.393384D+01
      6   0.408948D+01 -0.208914D+01  0.358957D+01  0.446154D+01 -0.964432D+00
               191           192           193           194           195 
      1  -0.104455D+02  0.387998D+01 -0.209989D+02  0.946443D+01  0.174206D+00
      2   0.131979D+01 -0.131048D+01  0.919410D-02  0.163546D+02 -0.250559D+01
      3   0.912574D+01 -0.256950D+01  0.209897D+02 -0.258190D+02  0.233139D+01
      4   0.198418D+02 -0.252002D+01  0.386162D+02 -0.564070D+02  0.912720D+01
      5  -0.184398D+01  0.534842D+01 -0.236955D+01  0.768375D+01 -0.901339D+01
      6   0.601820D+00 -0.578787D+00  0.143547D+01 -0.234446D+01  0.623215D+01
               196           197           198           199           200 
      1   0.883577D+01 -0.969152D+00  0.376969D+01  0.510792D+02  0.165392D+02
      2  -0.282684D+01 -0.176108D+01 -0.114452D+01 -0.265359D+02 -0.904364D+01
      3  -0.600892D+01  0.273023D+01 -0.262518D+01 -0.245433D+02 -0.749554D+01
      4  -0.611711D+01  0.109901D+02 -0.691046D+01  0.167632D+02  0.152622D+02
      5   0.995038D+01 -0.684951D+01  0.276020D+01  0.178604D+02  0.682332D+01
      6  -0.336572D+01  0.595524D+01 -0.267664D+01  0.108340D+01  0.539382D+00
               201           202           203           204           205 
      1   0.163387D+02  0.338821D+02  0.155765D+02  0.869052D+01  0.302890D+02
      2  -0.905170D+01 -0.172692D+02 -0.449051D+01 -0.536133D+01 -0.170957D+02
      3  -0.728697D+01 -0.166129D+02 -0.110860D+02 -0.332919D+01 -0.131932D+02
      4   0.668404D+01  0.242384D+02  0.154832D+02  0.108136D+02  0.911668D+01
      5   0.147966D+02  0.112815D+02  0.985444D+01  0.125862D+02  0.218144D+02
      6  -0.105039D+00  0.215767D+01  0.179647D+01  0.265885D+01  0.143574D+01
               206           207           208           209           210 
      1   0.741327D+01  0.144023D+02 -0.119623D+01  0.154992D+01 -0.195075D+01
      2  -0.506518D+01 -0.114709D+02  0.311075D+01 -0.180303D+01  0.613921D+00
      3  -0.234808D+01 -0.293133D+01 -0.191452D+01  0.253117D+00  0.133683D+01
      4   0.121151D+02  0.850245D+01  0.987986D+00  0.770690D+01 -0.634404D+00
      5   0.873674D+01  0.155378D+02 -0.145027D+01  0.258611D+00  0.327833D+01
      6   0.219997D+01  0.225002D+01 -0.204546D+01  0.646332D+00  0.960429D+00
               211           212           213           214           215 
      1  -0.100055D+01 -0.261753D+02  0.417604D+01 -0.203799D+01  0.119894D+02
      2   0.278392D+01  0.427657D+02 -0.886157D+01 -0.102004D+01 -0.207538D+02
      3  -0.178337D+01 -0.165904D+02  0.468553D+01  0.305803D+01  0.876445D+01
      4   0.628979D+01  0.148086D+02 -0.224599D+01 -0.276484D+01 -0.683131D+01
      5   0.206969D+00 -0.188672D+01  0.277344D+01  0.331456D+01  0.450988D+01
      6  -0.524358D+00 -0.810331D+01  0.733120D+01  0.232147D+01  0.132839D+02
               216           217           218           219           220 
      1  -0.604850D+01  0.329459D+01 -0.281077D+01 -0.172955D+01 -0.309723D+01
      2   0.614842D+01 -0.461384D+01 -0.151048D+00 -0.271408D+01  0.212420D+01
      3  -0.999208D-01  0.131926D+01  0.296182D+01  0.444362D+01  0.973031D+00
      4   0.519807D+01  0.754534D+01  0.105066D+02  0.963698D+01  0.606987D+01
      5  -0.836326D+00  0.111134D+02  0.874966D+01  0.127714D+02  0.383072D+01
      6  -0.421700D+01  0.745558D+01  0.901830D+01  0.847149D+01  0.562500D+01
               221           222           223           224           225 
      1  -0.113709D+02 -0.705928D+01 -0.238779D+01 -0.112582D+02 -0.179372D+02
      2   0.892405D+01  0.278960D+01 -0.214097D+01 -0.112473D+01 -0.572407D+01
      3   0.244688D+01  0.426968D+01  0.452877D+01  0.123829D+02  0.236613D+02
      4   0.107142D+02  0.799988D+01  0.928547D+01  0.111359D+02  0.149657D+02
      5   0.813800D+01  0.725282D+01  0.123738D+02  0.138795D+02  0.215670D+02
      6   0.127080D+02  0.143577D+02  0.945443D+01  0.218842D+02  0.262852D+02
               226           227           228           229           230 
      1   0.185684D+02 -0.958942D+01 -0.389159D+01 -0.672080D+01 -0.369734D+01
      2  -0.408664D+01 -0.109273D-01  0.163807D+01 -0.259860D+01  0.140289D+02
      3  -0.144817D+02  0.960034D+01  0.225353D+01  0.931940D+01 -0.103315D+02
      4  -0.289069D+02  0.237075D+02  0.108846D+02  0.205043D+02 -0.281533D+02
      5  -0.109410D+02  0.871614D+01  0.927490D+01  0.588093D+01 -0.836812D+01
      6   0.663971D+01 -0.704216D+01 -0.556701D+01 -0.575861D+01  0.983033D+01
               231           232           233           234 
      1  -0.150788D+01 -0.431393D+01  0.116082D+01  0.253846D+01
      2   0.313799D+01  0.147722D+01  0.424857D+01 -0.101767D+01
      3  -0.163011D+01  0.283672D+01 -0.540939D+01 -0.152079D+01
      4  -0.102373D+02  0.125452D+02 -0.153990D+02 -0.709951D+01
      5  -0.587879D+01  0.967875D+01 -0.464229D+01 -0.695642D+01
      6   0.685235D+01 -0.651701D+01  0.455452D+01  0.568306D+01

 ----------------------------------------------------------------------

 Electric dipole moment (input orientation):
 (Debye = 10**-18 statcoulomb cm , SI units = C m)
                  (au)            (Debye)         (10**-30 SI)
   Tot        0.654633D-01      0.166391D+00      0.555021D+00
   x         -0.699461D-02     -0.177785D-01     -0.593028D-01
   y         -0.419830D-01     -0.106710D+00     -0.355946D+00
   z         -0.497388D-01     -0.126423D+00     -0.421703D+00

 Dipole polarizability, Alpha (input orientation).
 (esu units = cm**3 , SI units = C**2 m**2 J**-1)
 Alpha(0;0):
               (au)            (10**-24 esu)      (10**-40 SI)
   iso        0.113035D+03      0.167501D+02      0.186370D+02
   aniso      0.270611D+02      0.401004D+01      0.446177D+01
   xx         0.126503D+03      0.187458D+02      0.208575D+02
   yx         0.399572D+01      0.592105D+00      0.658806D+00
   yy         0.115585D+03      0.171279D+02      0.190573D+02
   zx         0.411182D+00      0.609309D-01      0.677948D-01
   zy         0.240015D+01      0.355665D+00      0.395731D+00
   zz         0.970185D+02      0.143767D+02      0.159962D+02

 Dipole polarizability, Alpha (input orientation).
 (esu units = cm**3 , SI units = C**2 m**2 J**-1)
 Alpha(-w;w) w=  532.0nm:
                  (au)         (10**-24 esu)      (10**-40 SI)
   iso        0.120023D+03      0.177856D+02      0.197892D+02
   aniso      0.293224D+02      0.434513D+01      0.483461D+01
   xx         0.134693D+03      0.199594D+02      0.222078D+02
   yx         0.447263D+01      0.662775D+00      0.737437D+00
   yy         0.122630D+03      0.181718D+02      0.202189D+02
   zx         0.383406D+00      0.568150D-01      0.632152D-01
   zy         0.249642D+01      0.369931D+00      0.411604D+00
   zz         0.102748D+03      0.152256D+02      0.169408D+02

 ----------------------------------------------------------------------

 Dipole orientation:
     6          1.31315505         -0.31232063          1.90814427
     6          1.73813513         -2.03782781         -0.32973281
     6         -1.29348854          0.74004624          2.43145085
     6         -3.34170886         -0.01149217          0.60709473
     6         -5.89851730          1.08759508          1.15178788
     6         -2.93363759         -1.53756170         -1.34908162
     6         -0.45133936         -2.71447183         -2.04143417
     6          2.90039686          0.56825294         -0.29316582
     1          2.37312040         -0.76524544          3.60092051
     1          3.06458635         -3.57030424         -0.03720554
     1         -6.55362383          0.54572222          3.03762671
     1         -7.30253621          0.46650271         -0.22153506
     1         -5.83422198          3.15535156          1.12166285
     1         -0.00080883         -2.23689974         -4.00927637
     1         -0.68378311         -4.77166244         -2.03207899
     6          1.92455636          2.60281079         -2.04516912
     6          5.72415786          0.70729211          0.13526372
     1         -0.10622065          2.48853279         -2.34551613
     1          2.84513744          2.46711847         -3.89005981
     1          2.34989851          4.47554951         -1.28240874
     1          6.36686272         -0.78445880          1.40640859
     1          6.25779087          2.52185645          0.96909756
     1          6.75387928          0.50729030         -1.64580135
     1         -1.22816627          2.81190359          2.53479266
     1         -1.88224873          0.13433318          4.32236119
     1         -4.50992229         -1.99951334         -2.57993565

 Electric dipole moment (dipole orientation):
 (Debye = 10**-18 statcoulomb cm , SI units = C m)
                  (au)            (Debye)         (10**-30 SI)
   Tot        0.654633D-01      0.166391D+00      0.555021D+00
   x          0.000000D+00      0.000000D+00      0.000000D+00
   y          0.000000D+00      0.000000D+00      0.000000D+00
   z          0.654633D-01      0.166391D+00      0.555021D+00

 Dipole polarizability, Alpha (dipole orientation).
 (esu units = cm**3 , SI units = C**2 m**2 J**-1)
 Alpha(0;0):
               (au)            (10**-24 esu)      (10**-40 SI)
   iso        0.113035D+03      0.167501D+02      0.186370D+02
   aniso      0.270611D+02      0.401004D+01      0.446177D+01
   xx         0.125773D+03      0.186377D+02      0.207372D+02
   yx        -0.956602D+00     -0.141754D+00     -0.157722D+00
   yy         0.105388D+03      0.156169D+02      0.173762D+02
   zx        -0.526577D+01     -0.780307D+00     -0.868208D+00
   zy         0.959865D+01      0.142237D+01      0.158260D+01
   zz         0.107945D+03      0.159957D+02      0.177977D+02

 Dipole polarizability, Alpha (dipole orientation).
 (esu units = cm**3 , SI units = C**2 m**2 J**-1)
 Alpha(-w;w) w=  532.0nm:
                  (au)         (10**-24 esu)      (10**-40 SI)
   iso        0.120023D+03      0.177856D+02      0.197892D+02
   aniso      0.293224D+02      0.434513D+01      0.483461D+01
   xx         0.133903D+03      0.198424D+02      0.220776D+02
   yx        -0.119804D+01     -0.177532D+00     -0.197531D+00
   yy         0.111769D+03      0.165625D+02      0.184283D+02
   zx        -0.576593D+01     -0.854422D+00     -0.950673D+00
   zy         0.102814D+02      0.152354D+01      0.169517D+01
   zz         0.114398D+03      0.169520D+02      0.188616D+02

 ----------------------------------------------------------------------
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 EVANS BOLDLY PUT 50 ATM. OF ETHYLENE IN A CELL WITH 25 ATM. OF OXYGEN.
 THE APPARATUS SUBSEQUENTLY BLEW UP, BUT LUCKILY NOT BEFORE HE
 OBTAINED THE SPECTRA SHOWN IN FIGURE 8.
 A.J.MERER AND R.S.MULLIKEN, CHEM.REV. 69, 645 (1969)
 Job cpu time:       0 days 11 hours 40 minutes 48.8 seconds.
 Elapsed time:       0 days  1 hours 27 minutes 49.5 seconds.
 File lengths (MBytes):  RWF=    694 Int=      0 D2E=      0 Chk=     22 Scr=      2
 Normal termination of Gaussian 16 at Thu Jul 22 19:35:47 2021.
